Cas no 139713-81-8 (Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)-)
139713-81-8 structure
Product Name:Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)-
CAS No:139713-81-8
MF:C31H46O9
MW:562.691550731659
CID:213662
PubChem ID:132258
Update Time:2025-04-19
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)-
- Yunnanxane
- (1β,2β,3β,8α,10α,14β)-2,5,10-Triacetoxytaxa-4(20),11-dien-14-yl ( 2R,3S)-3-hydroxy-2-methylbutanoate
- Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-
- Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester,
- Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a...
- Crataegolic acid
- CRATEGOLIC ACID
- Maslinic acid,Crataegolic acid
- maslinicacid
- (2R,3S)-3-Hydroxy-2-methylbutanoic acid (3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester
- [ "" ]
- T725E7U7QJ
- DTXSID30930563
- [(1R,2R,3R,8R,10R,14S)-2,5,10-Triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-hydroxy-2-methylbutanoate
- 139713-81-8
- UNII-T725E7U7QJ
- Butanoic acid, 3-hydroxy-2-methyl-, 3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, (3S-(3alpha,4aalpha,5alpha,6beta,7beta(2S*,3R*),11beta,12abeta))-
- (+)-YUNNANXANE
- Yunnanxane, (+)-
- BUTANOIC ACID, 3-HYDROXY-2-METHYL-, 3,5,11-TRIS(ACETYLOXY)-1,2,3,4,4A,5,6,7,8,11,12,12A-DODECAHYDRO-9,12A,13,13-TETRAMETHYL-4-METHYLENE-6,10-METHANOBENZOCYCLODECEN-7-YL ESTER, (3S-(3.ALPHA.,4A.ALPHA.,5.ALPHA.,6.BETA.,7.BETA.(2S*,3R*),11.BETA.,12A.BETA.))-
- AKOS040762522
-
- Inchi： 1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22?,23+,24-,26-,27-,28-,31-/m1/s1
- InChI Key： FMPIEMVVEJGMCY-HROBNECESA-N
- SMILES： O(C(C)=O)[C@H]1[C@H]2[C@H](CC(C)=C([C@@H](C[C@@]3(C)CCC(C(=C)[C@@H]31)OC(C)=O)OC(C)=O)C2(C)C)OC([C@H](C)[C@H](C)O)=O
Computed Properties
- Exact Mass: 562.31400
- Monoisotopic Mass: 562.31418304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 40
- Rotatable Bond Count: 10
- Complexity: 1090
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 125?2
Experimental Properties
- Color/Form: Cryst.
- Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 161 oC
- Boiling Point: 611.9±55.0 °C at 760 mmHg
- Flash Point: 185.0±25.0 °C
- Solubility: Almost insoluble (0.013 g/l) (25 o C),
- PSA: 125.43000
- LogP: 4.44900
- Vapor Pressure: 0.0±4.0 mmHg at 25°C
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)- Security Information
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ℃, better at -4 ℃
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN5275-1 mg |
Yunnanxane |
139713-81-8 | 1mg |
￥2435.00 | 2022-04-26 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y45570-5 mg |
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)- |
139713-81-8 | 5mg |
￥4800.0 | 2021-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y45570-5mg |
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)- |
139713-81-8 | ,98.0% | 5mg |
￥4800.0 | 2023-09-05 | |
| TargetMol Chemicals | TN5275-5 mg |
Yunnanxane |
139713-81-8 | 98% | 5mg |
￥ 3,800 | 2023-07-10 | |
| TargetMol Chemicals | TN5275-1 mL * 10 mM (in DMSO) |
Yunnanxane |
139713-81-8 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 5790 | 2023-09-15 | |
| TargetMol Chemicals | TN5275-5mg |
Yunnanxane |
139713-81-8 | 5mg |
￥ 3800 | 2024-07-19 | ||
| A2B Chem LLC | AE61011-1mg |
Yunnanxane |
139713-81-8 | 98.0% | 1mg |
$599.00 | 2024-04-20 | |
| TargetMol Chemicals | TN5275-1 ml * 10 mm |
Yunnanxane |
139713-81-8 | 1 ml * 10 mm |
￥ 5790 | 2024-07-19 |
Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)- Related Literature
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Paul M. Dewick Nat. Prod. Rep. 2002 19 181
-
Giovanni Appendino Nat. Prod. Rep. 1995 12 349
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3. Index pages
-
4. DiterpenoidsJ. R. Hanson Nat. Prod. Rep. 1993 10 159
139713-81-8 (Butanoic acid,3-hydroxy-2-methyl-,(3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-ylester, (2R,3S)-) Related Products
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