| SpectraBase Spectrum ID |
22hELdNGgQe |
| Name |
(4R,4aS,6aS,6aS,6bR,7S,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-7-oxidanyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Alternate Name(s) |
(4R,4aS,6aS,6aS,6bR,7S,8aR,12aR,14aS,14bS)-7-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)15-16-29(7)23-17-25(2,3)13-14-26(23,4)18-24(32)30(22,29)8/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24-,26+,27+,28-,29-,30-/m0/s1 |
| InChIKey |
MYVWXXMGILJAQC-ZHGVIFCFSA-N |
| Molecular Weight |
442.728 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@]3([C@@](C1)(CCC(C3)(C)C)C)[H])(CC[C@]1([C@]3([C@]([C@@](C)(C(CC3)=O)[H])(C)CC[C@]21[H])[H])C)C)C)[H] |
| SPLASH |
splash10-056r-0872900000-94db03ef21734f418044 |
| Source of Spectrum |
X2-55-1628-4 |
| Wiley ID |
1604610 |
