Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(10-undecenoate)
CAS Registry Number®
85702-61-0
CAS Name
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(10-undecenoate)Molecular Formula
C29H42O3Molecular Mass
438.64Cite this Page
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(10-undecenoate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85702-61-0 (retrieved ) (CAS RN: 85702-61-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H42O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h3,13,15,20,24-27,30H,1,4-12,14,16-19H2,2H3/t24-,25-,26+,27+,29+/m1/s1
InChIKey
InChIKey=VJTIEHBTPQORML-GVGNIZHQSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CCCCCCCCC=C)=O)[H]
Canonical SMILES
O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CCCCCCCCC=C
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(10-undecenoate)
