| SpectraBase Spectrum ID |
5W5lC8yegJd |
| Name |
(3R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1,4,5-trimethylhexyl]-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 |
402.386166229 u |
| Formula |
C28H50O |
| InChI |
InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19?,20-,21?,22-,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey |
ARYTXMNEANMLMU-OECMJPDQSA-N |
| Molecular Weight |
402.707 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@@](CCC(C(C)C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918195 |
![(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/5W5lC8yegJd/structure.png?h=300&w=458 "(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol")
