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(2E,6E)-9-[(1S,4aS,4bR,8aR,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3,7-dimethyl-1-nona-2,6-dienol

View entire compound with spectra: 1 MS (GC)

(2E,6E)-9-[(1S,4aS,4bR,8aR,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3,7-dimethyl-1-nona-2,6-dienol
SpectraBase Compound ID 9qnssb6xBHv
InChI InChI=1S/C30H50O/c1-22(10-8-11-23(2)17-21-31)12-14-25-24(3)13-15-27-29(25,6)20-16-26-28(4,5)18-9-19-30(26,27)7/h10,13,17,25-27,31H,8-9,11-12,14-16,18-21H2,1-7H3/b22-10+,23-17+/t25-,26+,27+,29+,30+/m0/s1
InChIKey QLOAOQXODIXAQT-FMDZDSPJSA-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 HMkDryFHrIG
Name (2E,6E)-9-[(1S,4aS,4bR,8aR,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3,7-dimethyl-1-nona-2,6-dienol
CAS Registry Number 121650-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-22(10-8-11-23(2)17-21-31)12-14-25-24(3)13-15-27-29(25,6)20-16-26-28(4,5)18-9-19-30(26,27)7/h10,13,17,25-27,31H,8-9,11-12,14-16,18-21H2,1-7H3/b22-10+,23-17+/t25-,26+,27+,29+,30+/m0/s1
InChIKey QLOAOQXODIXAQT-FMDZDSPJSA-N
Molecular Weight 426.729 g/mol
SMILES OC\C=C\(CC\C=C\(CC[C@@]1([C@@]2([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C1C)[H])C)[H])C)C
SPLASH splash10-00dl-0490000000-685ce8463253bb6cc8fb
Source of Spectrum F-44-2519-2
Synonyms (2E,6E)-9-[(1S,4aS,4bR,8aR,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-3,7-dimethyl-nona-2,6-dien-1-ol
Wiley ID 1380256