| SpectraBase Spectrum ID |
1gURaxPEdmV |
| Name |
(3S,8R,10R,14R)-4,4,8,10,14-Pentamethyl-17-(5-methyl-1-methylene-hex-4-enyl)-hexadecahydro-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)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3/t22?,23?,24?,25?,26-,28-,29+,30+/m0/s1 |
| InChIKey |
WZAMDSBJONFHAO-ABWMXISESA-N |
| Molecular Weight |
426.729 g/mol |
| SMILES |
[C@]12([C@]3(C(C(C(=C)CCC=C(C)C)CC3)CCC2[C@]2(CC[C@@](C(C2CC1)(C)C)(O)[H])C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82611 |
![(3S,8R,10R,14R)-4,4,8,10,14-pentamethyl-17-(5-methyl-1-methylene-hex-4-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-ol](/api/spectrum/1gURaxPEdmV/structure.png?h=300&w=458 "(3S,8R,10R,14R)-4,4,8,10,14-pentamethyl-17-(5-methyl-1-methylene-hex-4-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-ol")
