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9-ALPHA-HYDROXY-TOTARA-8(14),11-DIEN-13-ONE
SpectraBase Compound ID 7scoqhux4EE
InChI InChI=1S/C20H30O2/c1-13(2)17-14-7-8-16-18(3,4)10-6-11-19(16,5)20(14,22)12-9-15(17)21/h9,12-13,16,22H,6-8,10-11H2,1-5H3/t16-,19-,20+/m0/s1
InChIKey QTTCPFZWGSYBHE-FFZOFVMBSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItwVYuaXErV
Name (4aS,4bS,8aS)-4a-hydroxy-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-one
CAS Registry Number 129456-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)17-14-7-8-16-18(3,4)10-6-11-19(16,5)20(14,22)12-9-15(17)21/h9,12-13,16,22H,6-8,10-11H2,1-5H3/t16-,19-,20+/m0/s1
InChIKey QTTCPFZWGSYBHE-FFZOFVMBSA-N
Molecular Weight 302.458 g/mol
SMILES O[C@]12C(=C(C(C)C)C(C=C2)=O)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H]
SPLASH splash10-014u-9712000000-3efa353497619854d55e
Source of Spectrum B-43-689-16
Synonyms (4aS,4bS,8aS)-4a-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-one (4aS,4bS,8aS)-4b,8,8-trimethyl-4a-oxidanyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-one
Wiley ID 1305153