| SpectraBase Spectrum ID |
3E9MzIHKiHU |
| Name |
(3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-Dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-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 |
426.386166229 u |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22?,24-,25+,26+,28+,29+,30-/m1/s1 |
| InChIKey |
WSPRAEIJBDUDRX-UYSWQTJCSA-N |
| Molecular Weight |
426.729 g/mol |
| SMILES |
[C@@]12([C@](C([C@@](CCC=C(C)C)(C)[H])CC2)(CC[C@@]2([C@@]1(CC=C1C([C@@](O)(CC[C@@]21[H])[H])(C)C)[H])C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912693 |
![(3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/3E9MzIHKiHU/structure.png?h=300&w=458 "(3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol")
