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3-BETA-HYDROXY-21-BETA-H-HOP-22(29)-ENE
SpectraBase Compound ID CALqwglrV0F
InChI InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22+,23-,24-,25+,27+,28+,29-,30-/m1/s1
InChIKey LFPVZIIPFONRSW-MZIWDXLGSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLKVjoTxQSs
Name (3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-isopropenyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
Alternate Name(s) (3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(1-methylethenyl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol (3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol Hop-22(29)-en-3.beta.-ol
CAS Registry Number 1678-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22+,23-,24-,25+,27+,28+,29-,30-/m1/s1
InChIKey LFPVZIIPFONRSW-MZIWDXLGSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@@]1(C([C@@]2(CC[C@]3([C@]4([C@]([C@]5(CC[C@@]([C@@]5(CC4)[H])(C(=C)C)[H])C)([H])CC[C@@]3([C@]2(CC1)C)[H])C)C)[H])(C)C)[H]
SPLASH splash10-000i-4910000000-112a5a108e702a27e3ee
Source of Spectrum Va-0-0-0
Wiley ID 742651