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1.alpha.,11.alpha.,30-Trihydroxyhopane
SpectraBase Compound ID BA6MnDMTrkl
InChI InChI=1S/C30H52O3/c1-18(17-31)19-8-13-27(4)20(19)9-14-28(5)23(27)16-21(32)25-29(28,6)15-10-22-26(2,3)12-11-24(33)30(22,25)7/h18-25,31-33H,8-17H2,1-7H3/t18?,19-,20?,21-,22?,23?,24+,25?,27+,28-,29-,30-/m1/s1
InChIKey WXAKHNIYPJXFTM-GLQKZOINSA-N
Mol Weight 460.7 g/mol
Molecular Formula C30H52O3
Exact Mass 460.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RhI85tEhLE
Name 1.alpha.,11.alpha.,30-Trihydroxyhopane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O3
InChI InChI=1S/C30H52O3/c1-18(17-31)19-8-13-27(4)20(19)9-14-28(5)23(27)16-21(32)25-29(28,6)15-10-22-26(2,3)12-11-24(33)30(22,25)7/h18-25,31-33H,8-17H2,1-7H3/t18?,19-,20?,21-,22?,23?,24+,25?,27+,28-,29-,30-/m1/s1
InChIKey WXAKHNIYPJXFTM-GLQKZOINSA-N
Molecular Weight 460.743 g/mol
SMILES OCC([C@]1(CC[C@@]2(C3[C@]([C@@]4(CCC5C(CC[C@@]([C@@]5(C4[C@@](C3)(O)[H])C)(O)[H])(C)C)C)(CCC12)C)C)[H])C
SPLASH splash10-059y-0393200000-302fde775320862a98d1
Source of Spectrum E1-38-2132-15
Synonyms (3S,5aR,5bR,11S,11aS,12R,13bS)-3-[(1R)-2-hydroxy-1-methylethyl]-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene-11,12-diol
Wiley ID 1518433