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3α,12α,21-trihydroxy-5β-pregnan-20-one, triacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

3α,12α,21-trihydroxy-5β-pregnan-20-one, triacetate
SpectraBase Compound ID KWb5guVzYN5
InChI InChI=1S/C27H40O7/c1-15(28)32-14-24(31)22-9-8-21-20-7-6-18-12-19(33-16(2)29)10-11-26(18,4)23(20)13-25(27(21,22)5)34-17(3)30/h18-23,25H,6-14H2,1-5H3/t18-,19-,20+,21+,22-,23+,25+,26+,27+/m1/s1
InChIKey DHNYKYRWVKTYBX-LTZMEBRVSA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H40O7
Exact Mass 476.277404 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID E0fYYRMVL5I
Name 3α,12α,21-trihydroxy-5β-pregnan-20-one, triacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O7
InChI InChI=1S/C27H40O7/c1-15(28)32-14-24(31)22-9-8-21-20-7-6-18-12-19(33-16(2)29)10-11-26(18,4)23(20)13-25(27(21,22)5)34-17(3)30/h18-23,25H,6-14H2,1-5H3/t18-,19-,20+,21+,22-,23+,25+,26+,27+/m1/s1
InChIKey DHNYKYRWVKTYBX-LTZMEBRVSA-N
Melting Point 150-150.5C
Molecular Weight 476.609985
Synonyms 5B-PREGNAN-20-ONE, 3A,12A,21-TRI- HYDROXY-, TRIACETATE
Technique KBr WAFER