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(2S,4S)-1-[(E)-5'-Hydroxy-3'-methyl-3'-pentenyl]-4-[(2''E,6''Z)-7''-(hydroxymethyl)-3'',11''-dimethyl-2'',6'',10''-dodecatrienyl]-3,3-dimethyl-1-methylenecyclohexane

View entire compound with spectra: 1 MS (GC)

(2S,4S)-1-[(E)-5'-Hydroxy-3'-methyl-3'-pentenyl]-4-[(2''E,6''Z)-7''-(hydroxymethyl)-3'',11''-dimethyl-2'',6'',10''-dodecatrienyl]-3,3-dimethyl-1-methylenecyclohexane
SpectraBase Compound ID JYhmQ5fkEcz
InChI InChI=1S/C30H50O2/c1-23(2)10-8-12-27(22-32)13-9-11-24(3)14-17-28-18-16-26(5)29(30(28,6)7)19-15-25(4)20-21-31/h10,13-14,20,28-29,31-32H,5,8-9,11-12,15-19,21-22H2,1-4,6-7H3/b24-14+,25-20+,27-13-/t28-,29+/m1/s1
InChIKey BANQFSREDPKBBE-GATQHTRASA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAzWuOv5p9I
Name (2S,4S)-1-[(E)-5'-Hydroxy-3'-methyl-3'-pentenyl]-4-[(2''E,6''Z)-7''-(hydroxymethyl)-3'',11''-dimethyl-2'',6'',10''-dodecatrienyl]-3,3-dimethyl-1-methylenecyclohexane
Alternate Name(s) (2Z,6E)-8-((1S,3S)-3-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-2,2-dimethyl-4-methylenecyclohexyl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dien-1-ol (2Z,6E)-8-[(1S,3S)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylenecyclohexyl]-6-methyl-2-(4-methylpent-3-enyl)-1-octa-2,6-dienol (2Z,6E)-8-[(1S,3S)-3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,2-dimethyl-4-methylidenecyclohexyl]-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dien-1-ol (2Z,6E)-8-[(1S,3S)-2,2-dimethyl-4-methylidene-3-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]cyclohexyl]-6-methyl-2-(4-methylpent-3-enyl)octa-2,6-dien-1-ol
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Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-23(2)10-8-12-27(22-32)13-9-11-24(3)14-17-28-18-16-26(5)29(30(28,6)7)19-15-25(4)20-21-31/h10,13-14,20,28-29,31-32H,5,8-9,11-12,15-19,21-22H2,1-4,6-7H3/b24-14+,25-20+,27-13-/t28-,29+/m1/s1
InChIKey BANQFSREDPKBBE-GATQHTRASA-N
Molecular Weight 442.728 g/mol
SMILES OC\C(=C/CC\C(=C\C[C@]1(C([C@@](CC\C(=C\CO)C)(C(CC1)=C)[H])(C)C)[H])C)CCC=C(C)C
SPLASH splash10-014i-9220000000-c7d461878e0ff8d879f8
Source of Spectrum F5-2-2243-29
Wiley ID 1731953