Estra-1,3,5(10)-triene-3,16,17-triol, 17-(dihydrogen phosphate), (16α,17β)-

CAS Registry Number®

35973-57-0

CAS Name

Estra-1,3,5(10)-triene-3,16,17-triol, 17-(dihydrogen phosphate), (16α,17β)-

Molecular Formula

C18H25O6P

Molecular Mass

368.36

Cite this Page

Estra-1,3,5(10)-triene-3,16,17-triol, 17-(dihydrogen phosphate), (16α,17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35973-57-0 (retrieved 2024-11-22) (CAS RN: 35973-57-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H25O6P/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)24-25(21,22)23/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H2,21,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1

InChIKey

InChIKey=HNKVQSMSAFUELQ-ZXXIGWHRSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(O)=CC4)[H])[H])(C[C@@H](O)[C@@H]2OP(=O)(O)O)[H]

Canonical SMILES

O=P(O)(O)OC1C(O)CC2C3CCC4=CC(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,16,17-triol, 17-(dihydrogen phosphate), (16α,17β)-
  • Estriol phosphate

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