| SpectraBase Spectrum ID |
ClBdElW46No |
| Name |
(Sax)-4,4'-Bis(3-hydroxyestra-1,3,5(10)-6,8-pentaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H34O4 |
| InChI |
InChI=1S/C36H34O4/c1-35-17-15-21-19-7-11-29(37)33(25(19)5-3-23(21)27(35)9-13-31(35)39)34-26-6-4-24-22(20(26)8-12-30(34)38)16-18-36(2)28(24)10-14-32(36)40/h3-8,11-12,27-28,37-38H,9-10,13-18H2,1-2H3/t27-,28-,35+,36+/m1/s1 |
| InChIKey |
QATCUKHDHJKAKF-SFSFMBGESA-N |
| Molecular Weight |
530.664 g/mol |
| SMILES |
Oc1ccc2c(c1-c1c(ccc3c1ccc1[C@@]4([C@](CCc31)(C(CC4)=O)C)[H])O)ccc1[C@@]3([C@](CCc21)(C(CC3)=O)C)[H] |
| SPLASH |
splash10-001i-0510090000-34df434579b892b06ac3 |
| Source of Spectrum |
QC-11-1772-3 |
| Synonyms |
(Rax)-4,4'-Bis(3-hydroxyestra-1,3,5(10)-6,8-pentaene
(13S,14R)-3-hydroxy-4-[(13S,14R)-3-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-4-yl]-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
(13S,14R)-13-methyl-4-[(13S,14R)-13-methyl-3-oxidanyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-4-yl]-3-oxidanyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one |
| Wiley ID |
859806 |
