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5β-pregnane-3α,20β,21-triol, 3,20-diacetate, 21-(p-toluenesulfonate)

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5β-pregnane-3α,20β,21-triol, 3,20-diacetate, 21-(p-toluenesulfonate)
SpectraBase Compound ID Av3Ngv3lxTW
InChI InChI=1S/C32H46O7S/c1-20-6-9-25(10-7-20)40(35,36)37-19-30(39-22(3)34)29-13-12-27-26-11-8-23-18-24(38-21(2)33)14-16-31(23,4)28(26)15-17-32(27,29)5/h6-7,9-10,23-24,26-30H,8,11-19H2,1-5H3/t23-,24-,26+,27+,28+,29-,30-,31+,32+/m1/s1
InChIKey DAAVGGULKIGZMN-RPGAAAJESA-N
Mol Weight 574.8 g/mol
Molecular Formula C32H46O7S
Exact Mass 574.296425 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6Zk441qcXrR
Name 5β-pregnane-3α,20β,21-triol, 3,20-diacetate, 21-(p-toluenesulfonate)
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16799-05-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H46O7S
InChI InChI=1S/C32H46O7S/c1-20-6-9-25(10-7-20)40(35,36)37-19-30(39-22(3)34)29-13-12-27-26-11-8-23-18-24(38-21(2)33)14-16-31(23,4)28(26)15-17-32(27,29)5/h6-7,9-10,23-24,26-30H,8,11-19H2,1-5H3/t23-,24-,26+,27+,28+,29-,30-,31+,32+/m1/s1
InChIKey DAAVGGULKIGZMN-RPGAAAJESA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 136-137C
Molecular Weight 574.773010
Synonyms 5B-PREGNANE-3A,20B,21-TRIOL, 3,20-DI- ACETATE, 21-/P-TOLUENESULFONATE/
Technique KBr WAFER