| SpectraBase Spectrum ID |
3Sf7KpKrNuG |
| Name |
(3R,5aR,5bR,7aS,11aS,11bR,13aS,13bR)-3-isopropyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene |
| Alternate Name(s) |
(3R,5aR,5bR,7aS,11aS,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50 |
| InChI |
InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h13,20-21,23-25H,9-12,14-19H2,1-8H3/t21-,23+,24-,25-,27+,28+,29-,30-/m1/s1 |
| InChIKey |
CFXLJOUEZZQVSK-XIHUCVDXSA-N |
| Molecular Weight |
410.730 g/mol |
| SMILES |
[C@@]12([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CC[C@@]1([C@]1(CC[C@@](C1=CC2)(C(C)C)[H])C)[H])C)C |
| SPLASH |
splash10-052p-0903100000-43e45a1a7969bdc5063c |
| Source of Spectrum |
E1-40-1684-7 |
| Wiley ID |
1519439 |
