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9,19-cyclolanostan-3-ol

View entire compound with spectra: 1 MS (GC)

9,19-cyclolanostan-3-ol
SpectraBase Compound ID 4riS6IHVCAB
InChI InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23?,24+,25?,27-,28+,29-,30?/m1/s1
InChIKey YABASAWVVRQMEU-XNOOOFRFSA-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 IHUXFRIX7wo
Name 9,19-cyclolanostan-3-ol
Alternate Name(s) (2aR,3R,5aS,5bS,11aR)-2a,5a,8,8-tetramethyl-3-((R)-6-methylheptan-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23?,24+,25?,27-,28+,29-,30?/m1/s1
InChIKey YABASAWVVRQMEU-XNOOOFRFSA-N
Literature Reference DOI 10.1002/pca.981
Molecular Weight 428.745 g/mol
SMILES OC1CC[C@@]23C4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C1(C)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])C)C2
SPLASH splash10-004v-7615900000-1c9293c92f470eb06f8f
Source of Spectrum PA-18-295-14
Wiley ID 1789528