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5.alpha.-pregnanolone myristate
SpectraBase Compound ID EoPN7Z96vJq
InChI InChI=1S/C35H60O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-33(37)38-28-21-23-34(3)27(25-28)17-18-29-31-20-19-30(26(2)36)35(31,4)24-22-32(29)34/h27-32H,5-25H2,1-4H3/t27-,28?,29-,30+,31-,32-,34-,35+/m0/s1
InChIKey FAOSMPQSPCIQNT-HSASWDJWSA-N
Mol Weight 528.9 g/mol
Molecular Formula C35H60O3
Exact Mass 528.454246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jz0vl3dZvhH
Name 5.alpha.-pregnanolone myristate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H60O3
InChI InChI=1S/C35H60O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-33(37)38-28-21-23-34(3)27(25-28)17-18-29-31-20-19-30(26(2)36)35(31,4)24-22-32(29)34/h27-32H,5-25H2,1-4H3/t27-,28?,29-,30+,31-,32-,34-,35+/m0/s1
InChIKey FAOSMPQSPCIQNT-HSASWDJWSA-N
Molecular Weight 528.862 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(OC(=O)CCCCCCCCCCCCC)C4)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-052f-9310000000-f542c79d3de0877b642d
Source of Spectrum KO-16-171-2
Synonyms (5alpha)-20-oxopregnan-3-yl myristate 5.alpha.-pregnanolone tetradecanoate
Wiley ID 1403157