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(23S,25R)-Cholesta-5,7-diene-3.beta.,25-diol-26,23-lactone
SpectraBase Compound ID 4FeNScYDtg6
InChI InChI=1S/C27H40O4/c1-16(13-19-15-27(4,30)24(29)31-19)21-7-8-22-20-6-5-17-14-18(28)9-11-25(17,2)23(20)10-12-26(21,22)3/h5-6,16,18-19,21-23,28,30H,7-15H2,1-4H3/t16-,18+,19+,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey HLPVOVSGSDNZCG-OBPNCTCZSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vCstaO9L2k
Name (23S,25R)-Cholesta-5,7-diene-3.beta.,25-diol-26,23-lactone
CAS Registry Number 77698-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-16(13-19-15-27(4,30)24(29)31-19)21-7-8-22-20-6-5-17-14-18(28)9-11-25(17,2)23(20)10-12-26(21,22)3/h5-6,16,18-19,21-23,28,30H,7-15H2,1-4H3/t16-,18+,19+,21-,22+,23+,25+,26-,27-/m1/s1
InChIKey HLPVOVSGSDNZCG-OBPNCTCZSA-N
Molecular Weight 428.613 g/mol
SMILES O[C@]1(C(O[C@@](C[C@]([C@@]2([C@@]3([C@](C4=CC=C5C[C@](CC[C@@]5([C@]4(CC3)[H])C)(O)[H])(CC2)[H])C)[H])(C)[H])(C1)[H])=O)C
SPLASH splash10-002b-0009700000-2147f69bf1af54aaad46
Source of Spectrum J-46-3427-0
Synonyms (3R,5S)-3-hydroxy-5-[(2R)-2-[(1S,2R,5S,11R,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]propyl]-3-methyloxolan-2-one
Wiley ID 1380825