Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, (6α,11β,20R)-

CAS Registry Number®

93963-74-7
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CAS Name

Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, (6α,11β,20R)-

Molecular Formula

C24H34O6

Molecular Mass

418.52

Cite this Page

Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, (6α,11β,20R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93963-74-7 (retrieved 2024-09-07) (CAS RN: 93963-74-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,20+,21+,22-,23-,24-/m0/s1

InChIKey

InChIKey=PISINOWVXAIVLQ-OCKJIAMASA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2([C@@H](COC(C)=O)O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(O)COC(=O)C)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, (6α,11β,20R)-