| SpectraBase Spectrum ID |
A6fFrzUjbGN |
| Name |
Estra-1,3,5(10)-trien-3-ol, 4,9-dimethyl-15-(1-methylethyl)-, (8.alpha.,9.beta.,13.alpha.,14.beta.,15.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.260965714 u |
| Formula |
C23H34O |
| InChI |
InChI=1S/C23H34O/c1-14(2)16-10-11-22(4)12-13-23(5)18-8-9-20(24)15(3)17(18)6-7-19(23)21(16)22/h8-9,14,16,19,21,24H,6-7,10-13H2,1-5H3/t16-,19+,21+,22+,23-/m0/s1 |
| InChIKey |
DNNOGEOANPRMAT-OUIOUHEYSA-N |
| Molecular Weight |
326.524 g/mol |
| SMILES |
[C@]12([C@@]([C@]3([C@@](CC[C@@]3(CC2)C)(C(C)C)[H])[H])(CCC2=C1C=CC(O)=C2C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813374 |
