| SpectraBase Spectrum ID |
2KTJvamAhKk |
| Name |
3-Methoxy-5',6',8.beta.,15.beta.-tetrahydrobenzo[7,8,14,15]estra-1,3,5(10)-trien-17.beta.-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.193280075 u |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-21-8-7-17-16-6-5-15(23-2)10-14(16)9-12-3-4-13(11-18(21)22)20(21)19(12)17/h5-6,10,12-13,17-18,22H,3-4,7-9,11H2,1-2H3/t12-,13+,17?,18+,21-/m1/s1 |
| InChIKey |
NUGVXICOEIECAX-FZWITRSMSA-N |
| SMILES |
C12=C3C4C5=CC=C(C=C5C[C@]3(CC[C@]1(C[C@@]([C@]2(CC4)C)(O)[H])[H])[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847004 |
![3-Methoxy-5',6',8.beta.,15.beta.-tetrahydrobenzo[7,8,14,15]estra-1,3,5(10)-trien-17.beta.-ol](/api/spectrum/2KTJvamAhKk/structure.png?h=300&w=458 "3-Methoxy-5',6',8.beta.,15.beta.-tetrahydrobenzo[7,8,14,15]estra-1,3,5(10)-trien-17.beta.-ol")
