| SpectraBase Spectrum ID |
IhiBvhdvlkZ |
| Name |
Estra-1,3,5(10)-trien-17-one, 3-(phenylmethoxy)-16-(2-propenyl)-, (16.alpha.)- |
| CAS Registry Number |
106139-55-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32O2 |
| InChI |
InChI=1S/C28H32O2/c1-3-7-21-17-26-25-12-10-20-16-22(30-18-19-8-5-4-6-9-19)11-13-23(20)24(25)14-15-28(26,2)27(21)29/h3-6,8-9,11,13,16,21,24-26H,1,7,10,12,14-15,17-18H2,2H3/t21-,24-,25-,26+,28+/m1/s1 |
| InChIKey |
MTIWHBXDLCXNQT-ZORXRRSQSA-N |
| Molecular Weight |
400.562 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCc2ccccc2)c4)[H])(C[C@](C1=O)(CC=C)[H])[H])C |
| SPLASH |
splash10-0006-9000100000-035463894c563ef6ebca |
| Source of Spectrum |
J-52-250-5 |
| Synonyms |
(16alpha)-16-allyl-3-(benzyloxy)estra-1,3,5(10)-trien-17-one
16.alpha.-allyl-3-(benzyloxy)estra-1,3,5(10)-trien-17-one
(8R,9S,13S,14S,16R)-16-allyl-3-benzyloxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
(8R,9S,13S,14S,16R)-13-methyl-3-phenylmethoxy-16-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Wiley ID |
1369763 |
