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A'-Neogammaceran-29-ol
SpectraBase Compound ID 1ihleCw0AKt
InChI InChI=1S/C30H52O/c1-20(19-31)21-11-16-27(4)22(21)12-17-29(6)24(27)9-10-25-28(5)15-8-14-26(2,3)23(28)13-18-30(25,29)7/h20-25,31H,8-19H2,1-7H3/t20?,21-,22+,23?,24?,25?,27+,28+,29-,30-/m1/s1
InChIKey JUVRJUWZCPMWHK-FAQSSKNVSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlJL2KcKMSq
Name A'-Neogammaceran-29-ol
CAS Registry Number 59123-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-20(19-31)21-11-16-27(4)22(21)12-17-29(6)24(27)9-10-25-28(5)15-8-14-26(2,3)23(28)13-18-30(25,29)7/h20-25,31H,8-19H2,1-7H3/t20?,21-,22+,23?,24?,25?,27+,28+,29-,30-/m1/s1
InChIKey JUVRJUWZCPMWHK-FAQSSKNVSA-N
Molecular Weight 428.745 g/mol
SMILES OCC([C@@]1([C@@]2(CC[C@]3([C@]4(C([C@]5(CCCC(C5CC4)(C)C)C)CCC3[C@]2(CC1)C)C)C)[H])[H])C
SPLASH splash10-004i-0900200000-58b56baf128dcb7bdea1
Source of Spectrum KC-1976-120-0
Synonyms (2S)-2-[(3R,3aS,5aR,5bR,11aS,13bS)-3a,5a,5b,8,8,11a-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-1-propanol 1H-Cyclopenta[a]chrysene, A'-neogammaceran-29-ol deriv. 29-Hydroxyhopane Hopan-29-ol
Wiley ID 1381018