Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate, (17α)-
CAS Registry Number®
6045-53-0
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CAS Name
Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate, (17α)-Molecular Formula
C25H28O3Molecular Mass
376.49Cite this Page
Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate, (17α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6045-53-0 (retrieved ) (CAS RN: 6045-53-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1
InChIKey
InChIKey=UYIFTLBWAOGQBI-ABMICEGHSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CC[C@H]2O)[H]
Canonical SMILES
O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)C=5C=CC=CC5
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate, (17α)-
- 17α-Estradiol, 3-benzoate
- 3-Benzoyloxy-17α-hydroxyoestra-1,3,5(10)-triene
- α-Estradiol 3-benzoate
- (+)-17α-Estradiol 3-benzoate
Deleted or Replaced CAS Registry Numbers
1713228-22-8
