| SpectraBase Spectrum ID |
9nzhNqML0lh |
| Name |
(3S,3'S,8R,9S,10R,13S,14S,17R)-3',10,13-Trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[A]phenanthrene-17,2'-oxetane]-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.255880333 u |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-14-13-24-22(14)11-8-19-17-5-4-15-12-16(23)6-9-20(15,2)18(17)7-10-21(19,22)3/h4,14,16-19,23H,5-13H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22+/m0/s1 |
| InChIKey |
BYLFGOANCVHEFN-KETNVUDHSA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
C1C[C@]2(C(C[C@]1(O)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]21OC[C@@]1(C)[H])[H])C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943049 |
![(3S,3'S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3-ol](/api/spectrum/9nzhNqML0lh/structure.png?h=300&w=458 "(3S,3'S,8R,9S,10R,13S,14S,17R)-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3-ol")
