Cas no 71247-78-4 (2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)-)
71247-78-4 structure
Product Name:2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)-
CAS No:71247-78-4
MF:C30H48O4
MW:472.699729919434
CID:564534
PubChem ID:122852
Update Time:2025-04-19
2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)-
- Salaspermic acid
- 2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,1
- CS-0092687
- 71247-78-4
- (1R,4S,5R,8S,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
- AKOS040762291
- (3beta,20alpha)-3,24-Epoxy-3-hydroxy-D:A-friedooleanan-29-oic acid
- HY-127078
- (3S,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-3-hydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-3,5a-methanochryseno[2,1-c]oxepine-12(5H)-carboxylic acid
- Q27134675
- CHEBI:66153
- LMPR0106150039
- D:A-Friedooleanan-29-oic acid, 3,24-epoxy-3-hydroxy-, (3beta,20alpha)-
- AKOS032949115
- 3-Hydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-5H-3,5a-methanochryseno[2,1-c]oxepine-12-carboxylic acid
- DTXSID10991556
- (1R,4S,5R,8S,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo(19.2.1.01,18.04,17.05,14.08,13)tetracosane-11-carboxylic acid
- (3S,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-3-hydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-3,5a-methanochryseno(2,1-c)oxepine-12(5H)-carboxylic acid
- (1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo(19.2.1.0,.0,.0,.0,)tetracosane-11-carboxylate
- (1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0,.0,.0,.0,]tetracosane-11-carboxylate
-
- Inchi： 1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30+/m1/s1
- InChI Key： ZXENWDWQTWYUGY-UUZWCOCASA-N
- SMILES： O1C[C@@]23[C@@H](C)[C@@]1(CC[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@@](C(=O)O)(C)CC[C@]4(C)CC[C@]2(C)[C@H]1CC3)O
Computed Properties
- Exact Mass: 472.35500
- Monoisotopic Mass: 472.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 918
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8?2
- XLogP3: 7.2
Experimental Properties
- Color/Form: Powder
- Density: 1.15±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 335 oC
- Boiling Point: 571.8±25.0 °C at 760 mmHg
- Flash Point: 178.9±16.7 °C
- Refractive Index: 1.566
- Solubility: Insuluble (1.1E-3 g/L) (25 oC),
- PSA: 66.76000
- LogP: 6.65150
- Vapor Pressure: 0.0±3.6 mmHg at 25°C
2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)- 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 ℃
2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN4934-1 mg |
Salaspermic acid |
71247-78-4 | 1mg |
￥2035.00 | 2022-04-26 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S49030-5 mg |
2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)- |
71247-78-4 | 5mg |
￥4000.0 | 2021-09-07 | ||
| TargetMol Chemicals | TN4934-5 mg |
Salaspermic acid |
71247-78-4 | 98% | 5mg |
￥ 3,710 | 2023-07-10 | |
| TargetMol Chemicals | TN4934-1 mL * 10 mM (in DMSO) |
Salaspermic acid |
71247-78-4 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 13200 | 2023-09-15 | |
| TargetMol Chemicals | TN4934-5mg |
Salaspermic acid |
71247-78-4 | 98% | 5mg |
￥ 10800 | 2023-09-15 | |
| A2B Chem LLC | AH21192-5mg |
Salaspermic acid |
71247-78-4 | 93.0% | 5mg |
$660.00 | 2024-04-19 | |
| TargetMol Chemicals | TN4934-2mg |
Salaspermic acid |
71247-78-4 | 2mg |
￥ 8580 | 2024-07-19 |
2H-3,4a-(Epoxymethano)picene-11-carboxylicacid, eicosahydro-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-,(3S,4R,4aR,6aS,6bR,8aS,11R,12aR,12bS,14aR,14bS)- Related Literature
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1. Salaspermic acid, a new triterpene acid from Salacia macrosperma WightNarayana Iyer Viswanathan J. Chem. Soc. Perkin Trans. 1 1979 349
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2. X-Ray crystal structure of a derivative of salaspermic acidDonald Rogers,Kwamena A. Woode,Narayanan Viswanathan,Balawant S. Joshi J. Chem. Soc. Chem. Commun. 1980 1049
-
Joseph D. Connolly,Robert A. Hill Nat. Prod. Rep. 2007 24 465
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4. 28,29-Dihydroxyfriedelan-3-one, a friedelane with two oxygenated methyl groups, from Elaeodendron balae(Celastraceae)Gamini Weeratunga,Vijaya Kumar,M. Uvais S. Sultanbawa,Sinnathamby Balasubramaniam J. Chem. Soc. Perkin Trans. 1 1982 2457
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5. Studies on terpenoids and steroids. Part 10. Structures of four new natural phenol is D:A-friedo-24-noroleanane triterpenoidsChandra B. Gamlath,Kamal B. Gunaherath,A. A. Leslie Gunatilaka J. Chem. Soc. Perkin Trans. 1 1987 2849
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