| SpectraBase Spectrum ID |
CYNBSsOuRB7 |
| Name |
17beta-(Hydroxymethyl)-3-methoxyestra-1,3,5(10)-trien-18(S)-oic Acid 18,20-Lactone |
| Alternate Name(s) |
(3aS,5aS,5bR,11bS,13aR)-9-methoxy-3a,4,5,5a,5b,6,7,11b,12,13-decahydro-1H,3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O3 |
| InChI |
InChI=1S/C20H24O3/c1-22-14-4-6-15-12(10-14)2-5-17-16(15)8-9-20-13(3-7-18(17)20)11-23-19(20)21/h4,6,10,13,16-18H,2-3,5,7-9,11H2,1H3/t13-,16-,17-,18+,20+/m1/s1 |
| InChIKey |
BLDHENOMJCHYLR-REPJOTQGSA-N |
| Molecular Weight |
312.409 g/mol |
| SMILES |
c1(ccc2[C@]3(CC[C@]45[C@]([C@@]3(CCc2c1)[H])(CC[C@@]5(COC4=O)[H])[H])[H])OC |
| SPLASH |
splash10-03di-0119000000-4e6d92469f6fc1844fc8 |
| Source of Spectrum |
H-81-2269-13 |
| Wiley ID |
1787468 |
