| SpectraBase Spectrum ID |
4pillnym3oj |
| Name |
10,13-Dimethyl-17-[1-(2-methyl-3-propan-2-yl-cyclopropyl)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-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 |
412.370516165 u |
| Formula |
C29H48O |
| InChI |
InChI=1S/C29H48O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h7,17-19,21-27,30H,8-16H2,1-6H3 |
| InChIKey |
GOZWAAJAKSAXBZ-UHFFFAOYSA-N |
| Molecular Weight |
412.702 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC2C(CC1C(C)C1C(C)C)C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840881 |
![10,13-dimethyl-17-[1-(2-methyl-3-propan-2-yl-cyclopropyl)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/4pillnym3oj/structure.png?h=300&w=458 "10,13-dimethyl-17-[1-(2-methyl-3-propan-2-yl-cyclopropyl)propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
