Pregnane-3,20-diol, diacetate, (3α,5α,20S)-

CAS Registry Number®

6003-18-5

CAS Name

Pregnane-3,20-diol, diacetate, (3α,5α,20S)-

Molecular Formula

C25H40O4

Molecular Mass

404.58

Cite this Page

Pregnane-3,20-diol, diacetate, (3α,5α,20S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6003-18-5 (retrieved 2024-12-29) (CAS RN: 6003-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140.5-141.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18-,19+,20-,21+,22-,23-,24-,25+/m0/s1

InChIKey

InChIKey=VDZDKQBSTYNFGG-GESQZIMISA-N

SMILES

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

Canonical SMILES

O=C(OC(C)C1CCC2C3CCC4CC(OC(=O)C)CCC4(C)C3CCC12C)C

Other Names for this Substance

  • Pregnane-3,20-diol, diacetate, (3α,5α,20S)-
  • 5α-Pregnane-3α,20α-diol, diacetate
  • Allopregnane-3α,20α-diol diacetate
  • (20S)-3α,20α-Diacetoxy-5α-pregnane

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