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Helianol [3,4-seco-19(10-9)abeo-8.alpha.,9.beta.,10.alpha.-Eupha-4,24-dien-3-ol]
SpectraBase Compound ID 8NOorUuYUI7
InChI InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey PDGUDHUKTNJAMM-GSHMMLCQSA-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 7L0B7dw7KAB
Name Helianol [3,4-seco-19(10-9)abeo-8.alpha.,9.beta.,10.alpha.-Eupha-4,24-dien-3-ol]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey PDGUDHUKTNJAMM-GSHMMLCQSA-N
Molecular Weight 428.745 g/mol
SMILES OCCC[C@]1([C@]2([C@@]([C@@]3([C@]([C@@]([C@@](CCC=C(C)C)(C)[H])([H])CC3)(CC2)C)C)(CCC1=C(C)C)[H])C)[H]
SPLASH splash10-014i-9230100000-fc3d1513b61316ff1ac1
Source of Spectrum E1-44-1257-1
Synonyms 3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]-1-propanol 3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1R)-1,5-dimethylhex-4-enyl]-7-isopropylidene-3a,5a,9b-trimethyl-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propan-1-ol 3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propan-1-ol
Wiley ID 1553491