Cas no 2318-78-7 (A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)-)
2318-78-7 structure
Product Name:A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)-
CAS No:2318-78-7
MF:C30H48O
MW:424.701529502869
CID:270441
PubChem ID:10410123
Update Time:2025-07-09
A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)- Chemical and Physical Properties
Names and Identifiers
-
- A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)-
- Simiarenone
- (3R,3aR,5aR,5bS,11aS,11bR,13aS,13bR)-3-Isopropyl-3a,5a,8,8,11b,13 a-hexamethyl-1,2,3,3a,4,5,5a,5b,6,8,10,11,11a,11b,12,13,13a,13b-o ctadecahydro-9H-cyclopenta[a]chrysen-9-one
- D:B-Friedo-B':A'-neogammacer-5-en-3-one(7CI,8CI)
- [ "" ]
- 2318-78-7
- AKOS032962344
- FS-9631
- (3R,3aR,5aR,5bS,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,10,11,11a,12,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
- Simiarene
-
- Inchi： 1S/C30H48O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-24H,9,11-18H2,1-8H3/t20-,22-,23-,24+,27-,28+,29+,30-/m1/s1
- InChI Key： BCQNFYWIPQQTGS-UBYXKGFDSA-N
- SMILES： O=C1CC[C@@H]2C(C1(C)C)=CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@@]21C
Computed Properties
- Exact Mass: 424.370516150g/mol
- Monoisotopic Mass: 424.370516150g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 1
- Complexity: 818
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Color/Form: Powder
- Density: 1.0±0.1 g/cm3
- Boiling Point: 491.2±14.0 °C at 760 mmHg
- Flash Point: 204.2±15.1 °C
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)- 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 ℃
A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S35870-5mg |
(3R,3aR,5aR,5bS,11aS,11bR,13aS,13bR)-3-Isopropyl-3a,5a,8,8,11b,13 a-hexamethyl-1,2,3,3a,4,5,5a,5b,6,8,10,11,11a,11b,12,13,13a,13b-o ctadecahydro-9H-cyclopenta[a]chrysen-9-one |
2318-78-7 | 5mg |
￥3438.0 | 2021-09-07 | ||
| TargetMol Chemicals | TN5025-5 mg |
Simiarenone |
2318-78-7 | 98% | 5mg |
￥ 3,330 | 2023-07-10 | |
| TargetMol Chemicals | TN5025-1 mL * 10 mM (in DMSO) |
Simiarenone |
2318-78-7 | 98% | 1 mL * 10 mM (in DMSO) |
￥ 3430 | 2023-09-15 | |
| TargetMol Chemicals | TN5025-5mg |
Simiarenone |
2318-78-7 | 5mg |
￥ 3330 | 2024-07-19 | ||
| TargetMol Chemicals | TN5025-1 ml * 10 mm |
Simiarenone |
2318-78-7 | 1 ml * 10 mm |
￥ 3430 | 2024-07-19 |
A'-Neo-25,26,28-trinorgammacer-5-en-3-one,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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