| SpectraBase Spectrum ID |
4t3csZLd7ej |
| Name |
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(Z,1R)-1,3,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-ol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.354866100 u |
| Formula |
C28H46O |
| InChI |
InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,16,18,20,22-26,29H,8-15,17H2,1-6H3/b19-16-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey |
VWOZANDHAVNMEW-YMEVUWOVSA-N |
| Molecular Weight |
398.675 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C/(CC(C)C)C)(C)[H])[H])[H])C |
![(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,3,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/4t3csZLd7ej/structure.png?h=300&w=458 "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,3,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
