| SpectraBase Spectrum ID |
68sNt2SY2dP |
| Name |
(3R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.339216036 u |
| Formula |
C26H44O |
| InChI |
InChI=1S/C26H44O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,17-24,27H,8-16H2,1-5H3/b7-6+/t18-,19?,20-,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey |
HWRYKNYRSRPFPM-DAXWSPFTSA-N |
| Molecular Weight |
372.637 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C\C(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906283 |
![(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/68sNt2SY2dP/structure.png?h=300&w=458 "(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol")
