Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-diacetate 3-benzoate, (16α,17β)-
CAS Registry Number®
2508-47-6
No image available.
CAS Name
Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-diacetate 3-benzoate, (16α,17β)-Molecular Formula
C29H32O6Molecular Mass
476.56Cite this Page
Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-diacetate 3-benzoate, (16α,17β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2508-47-6 (retrieved ) (CAS RN: 2508-47-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23-,24-,25+,26-,27+,29+/m1/s1
InChIKey
InChIKey=VQHGRIUWSVCJPX-HSZAMCLRSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)[H])[H])(C[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[H]
Canonical SMILES
O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)C)C(OC(=O)C)CC34)C=5C=CC=CC5
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-diacetate 3-benzoate, (16α,17β)-
- Estriol, 16,17-diacetate benzoate
- Estriol, 16,17-diacetate 3-benzoate
- 3-Benzoyloxy-16α,17β-diacetoxy-estrane-1,3,5(10)-triene
