Cas no 1615-95-8 (Adianene)
Adianene structure
Product Name:Adianene
CAS No:1615-95-8
MF:C30H50
MW:410.718009471893
CID:169754
PubChem ID:21582920
Update Time:2024-02-29
Adianene Chemical and Physical Properties
Names and Identifiers
-
- A'-Neo-25,26,28-trinorgammacer-5-ene,9,13,17-trimethyl-, (8b,9a,10a,13b,14a,17a,18b)-
- D:B-Friedo-B':A'-neogammacer-5-ene
- Adian-5-ene
- Adianene
- D:B-Friedo-B':A'-neogammacer-5-ene(7CI,8CI)
- D:B-Friedo-B/':A/'-neogammacer-5-ene
- (3R,3aR,5aR,5bS,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene
- DTXSID901131778
- 1615-95-8
- (8beta,9alpha,10alpha,13beta,14alpha,17alpha,18beta)-9,13,17-Trimethyl-A'-neo-25,26,28-trinorgammacer-5-ene
-
- Inchi： 1S/C30H50/c1-20(2)21-11-13-24-27(21,5)16-18-30(8)25-14-12-22-23(10-9-15-26(22,3)4)28(25,6)17-19-29(24,30)7/h12,20-21,23-25H,9-11,13-19H2,1-8H3/t21-,23-,24-,25+,27-,28+,29+,30-/m1/s1
- InChI Key： WZDKBHGEBSMIQO-CTXSZRMBSA-N
- SMILES： [C@@]12(C)CC[C@@]3(C)[C@@H]4CCCC(C)(C)C4=CC[C@@H]3[C@@]1(C)CC[C@]1(C)[C@@H](C(C)C)CC[C@@H]21
Computed Properties
- Exact Mass: 410.391
- Monoisotopic Mass: 410.391
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 30
- Rotatable Bond Count: 1
- Complexity: 741
- 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
- Topological Polar Surface Area: 0
- XLogP3: 10.5
Adianene Related Literature
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1. The structure of the triterpene simiarenol (a E:B-friedo-hop-5-ene) from the Hong Kong species of Rhododendron simiarumR. T. Aplin,H. R. Arthur,W. H. Hui J. Chem. Soc. C 1966 1251
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2. Fern constituents: neohopene, hopene-II, neohopadiene, and fernadiene isolated from Adiantum speciesH. Ageta,K. Shiojima,Y. Arai Chem. Commun. (London) 1968 1105
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