Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-(hydroxymethyl)-

CAS Registry Number®

1867-41-0
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CAS Name

Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-(hydroxymethyl)-

Molecular Formula

C24H32O5

Molecular Mass

400.51

Cite this Page

Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-(hydroxymethyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1867-41-0 (retrieved 2024-09-08) (CAS RN: 1867-41-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-120 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O5/c1-14(26)24(29-15(2)27)10-7-20-18-11-16(13-25)21-12-17(28)5-8-22(21,3)19(18)6-9-23(20,24)4/h11-12,18-20,25H,5-10,13H2,1-4H3/t18-,19+,20+,22-,23+,24+/m1/s1

InChIKey

InChIKey=MLMGNNLOYMIQAE-GQFGMJRRSA-N

SMILES

O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(C(CO)=C3)=CC(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3C=C(C4=CC(=O)CCC4(C)C3CCC21C)CO)C

Other Names for this Substance

  • Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-(hydroxymethyl)-
  • Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-(hydroxymethyl)-, 17-acetate

Deleted or Replaced CAS Registry Numbers

18609-40-0