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9,10-Secochola-5,7,10(19)-triene-3,24-diol, (3.beta.,5Z,7E)-
SpectraBase Compound ID LTIHtiy6O2q
InChI InChI=1S/C24H38O2/c1-17-8-11-21(26)16-20(17)10-9-19-7-4-14-24(3)22(12-13-23(19)24)18(2)6-5-15-25/h9-10,18,21-23,25-26H,1,4-8,11-16H2,2-3H3/b19-9+,20-10-/t18?,21-,22?,23?,24+/m0/s1
InChIKey NGXCNTOSISCERO-SYODYZEVSA-N
Mol Weight 358.6 g/mol
Molecular Formula C24H38O2
Exact Mass 358.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nYSLcMmxSB
Name 9,10-Secochola-5,7,10(19)-triene-3,24-diol, (3.beta.,5Z,7E)-
CAS Registry Number 40013-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O2
InChI InChI=1S/C24H38O2/c1-17-8-11-21(26)16-20(17)10-9-19-7-4-14-24(3)22(12-13-23(19)24)18(2)6-5-15-25/h9-10,18,21-23,25-26H,1,4-8,11-16H2,2-3H3/b19-9+,20-10-/t18?,21-,22?,23?,24+/m0/s1
InChIKey NGXCNTOSISCERO-SYODYZEVSA-N
Molecular Weight 358.566 g/mol
SMILES O[C@]1(CCC(\C(=C/C=C/2C3[C@@](C(C(CCCO)C)CC3)(CCC2)C)C1)=C)[H]
SPLASH splash10-05mo-9400000000-bdf5bf8a07087131f659
Source of Spectrum D-11-4254-2
Synonyms (3S,5Z,7E)-9,10-secochola-5,7,10-triene-3,24-diol 25,26,27-Trinorcholecalcifer-24-ol 25,26,27-Trisnor-24-hydroxycholecalciferol
Wiley ID 1347458