Pregnane-3,20-diol, 3,20-diacetate, (3α,5β,20S)-
CAS Registry Number®
1174-69-2
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CAS Name
Pregnane-3,20-diol, 3,20-diacetate, (3α,5β,20S)-Molecular Formula
C25H40O4Molecular Mass
404.58Cite this Page
Pregnane-3,20-diol, 3,20-diacetate, (3α,5β,20S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1174-69-2 (retrieved ) (CAS RN: 1174-69-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
166.5 °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-BNPPXZMESA-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, 3,20-diacetate, (3α,5β,20S)-
- 5β-Pregnane-3α,20α-diol, diacetate
- Pregnane-3,20-diol, diacetate, (3α,5β,20S)-
- 5β-Pregnane-3α,20α-diyl diacetate
- (20S)-3α,20α-Diacetoxy-5β-pregnane
