(3β,16β)-3,17-Dihydroxy-16-methylpregn-5-en-20-one

CAS Registry Number®

13900-61-3
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CAS Name

(3β,16β)-3,17-Dihydroxy-16-methylpregn-5-en-20-one

Molecular Formula

C22H34O3

Molecular Mass

346.50

Cite this Page

(3β,16β)-3,17-Dihydroxy-16-methylpregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13900-61-3 (retrieved 2024-08-02) (CAS RN: 13900-61-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-240 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3/t13-,16-,17+,18-,19-,20-,21-,22-/m0/s1

InChIKey

InChIKey=MDCCMZGGNCMFPQ-RGEWOSBMSA-N

SMILES

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

Canonical SMILES

O=C(C)C1(O)C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregn-5-en-20-one, 3,17-dihydroxy-16-methyl-, (3β,16β)-
  • Pregn-5-en-20-one, 3β,17-dihydroxy-16β-methyl-
  • (3β,16β)-3,17-Dihydroxy-16-methylpregn-5-en-20-one