Cas no 21681-17-4 (A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)-)
21681-17-4 structure
Product Name:A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)-
CAS No:21681-17-4
MF:C30H50
MW:410.718009471893
CID:271065
PubChem ID:12310619
Update Time:2025-04-19
A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)- Chemical and Physical Properties
Names and Identifiers
-
- A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)-
- (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
- NEOHOP-13(18)-ENE
- Hopene II
- Neohop-13(18)-ene100μg
- DTXSID20487233
- (3R, 3aR, 5aS, 5bR, 7aS, 11aS, 11bR)-3a, 5a, 5b, 8, 8, 11a-hexamethyl-3-propan-2-yl-1, 2, 3, 4, 5, 6, 7, 7a, 9, 10, 11, 11b, 12, 13-tetradecahydrocyclopenta[a]chrysene
- 21681-17-4
- DB-214841
- (3R,3ar,5as,5br,7as,11as,11br)-3-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene
-
- Inchi： 1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1
- InChI Key： WGNURPYJZZHCBQ-ZNABNZNXSA-N
- SMILES： [C@@]12(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CCC1=C3CC[C@H](C(C)C)[C@@]3(C)CC[C@@]21C
Computed Properties
- Exact Mass: 410.39100
- Monoisotopic Mass: 410.391251595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 30
- Rotatable Bond Count: 1
- Complexity: 754
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 9.19810
A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)- Security Information
- Hazardous Material transportation number：UN 1262 3/PG 2
- WGK Germany：1
- Hazard Category Code： 11-38-50/53-65-67
- Safety Instruction： 60-61-62
- FLUKA BRAND F CODES：10-23
-
Hazardous Material Identification：
- Risk Phrases：R11; R38; R50/53; R65; R67
A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-228824-1 ml |
Neohop-13(18)ene solution, |
21681-17-4 | 1 ml |
￥7972.00 | 2023-09-05 |
A'-Neo-28-norgammacer-13(18)-ene,17-methyl-, (17a)- Related Literature
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1. Fern constituents: neohopene, hopene-II, neohopadiene, and fernadiene isolated from Adiantum speciesH. Ageta,K. Shiojima,Y. Arai Chem. Commun. (London) 1968 1105
-
Hiroshi Kakisawa,Kazuo Iguchi J. Chem. Soc. D 1970 1488
-
3. 373. The chemistry of triterpenes and related compounds. Part XXXIV. The structure of hydroxyhopanoneH. Fazakerley,T. G. Halsall,E. R. H. Jones J. Chem. Soc. 1959 1877
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