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(1S,3R)-5-(Z,2E)-2-((3S)-3-(1R,2R)-6-(Hydroxy)-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexylidene)ethylidene)-4-methoxylenecyclohexan-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1S,3R)-5-(Z,2E)-2-((3S)-3-(1R,2R)-6-(Hydroxy)-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexylidene)ethylidene)-4-methoxylenecyclohexan-1,3-diol
SpectraBase Compound ID 6qCwnX88GE1
InChI InChI=1S/C26H40O3/c1-18(9-7-13-25(4,5)29)20(3)26(6)14-8-10-21(17-26)11-12-22-15-23(27)16-24(28)19(22)2/h11-12,18,20,23-24,27-29H,2,8-10,14-17H2,1,3-6H3/b21-11+,22-12-/t18?,20?,23-,24+,26+/m1/s1
InChIKey VQYWFGKERPTOHR-WVVCVVCGSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pIoEorZ13e
Name (1S,3R)-5-(Z,2E)-2-((3S)-3-(1R,2R)-6-(Hydroxy)-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexylidene)ethylidene)-4-methoxylenecyclohexan-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-18(9-7-13-25(4,5)29)20(3)26(6)14-8-10-21(17-26)11-12-22-15-23(27)16-24(28)19(22)2/h11-12,18,20,23-24,27-29H,2,8-10,14-17H2,1,3-6H3/b21-11+,22-12-/t18?,20?,23-,24+,26+/m1/s1
InChIKey VQYWFGKERPTOHR-WVVCVVCGSA-N
Molecular Weight 400.603 g/mol
SMILES O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1C[C@](C(C(CC#CC(O)(C)C)C)C)(C)CCC1)(O)[H])[H]
SPLASH splash10-0006-9100000000-115e56a3a52ab27fa815
Source of Spectrum F2-42-3554-9
Wiley ID 1600318