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(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[1-(3,4-dihydroxy-4-methyl-pentyl)cyclopropyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[1-(3,4-dihydroxy-4-methyl-pentyl)cyclopropyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
SpectraBase Compound ID 2cVhN9HVy8k
InChI InChI=1S/C28H42O4/c1-18-20(16-21(29)17-23(18)30)8-7-19-6-5-12-27(4)22(19)9-10-24(27)28(14-15-28)13-11-25(31)26(2,3)32/h7-8,10,21-23,25,29-32H,1,5-6,9,11-17H2,2-4H3/b19-7+,20-8-/t21-,22+,23+,25?,27+/m1/s1
InChIKey OJROBPJKGUGSRS-LJNRVRSMSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeQowWvew36
Name (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[1-(3,4-dihydroxy-4-methyl-pentyl)cyclopropyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-18-20(16-21(29)17-23(18)30)8-7-19-6-5-12-27(4)22(19)9-10-24(27)28(14-15-28)13-11-25(31)26(2,3)32/h7-8,10,21-23,25,29-32H,1,5-6,9,11-17H2,2-4H3/b19-7+,20-8-/t21-,22+,23+,25?,27+/m1/s1
InChIKey OJROBPJKGUGSRS-LJNRVRSMSA-N
Instrument Name Agilent GC 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1021/jm801365a
Molecular Weight 442.640 g/mol
SMILES O[C@]1(C[C@@](C(\C(=C/C=C/2[C@@]3(CC=C(C4(CCC(C(O)(C)C)O)CC4)[C@]3(CCC2)C)[H])C1)=C)(O)[H])[H]
SPLASH splash10-001i-2910000000-2fc9d08c832d92c289a2
Source of Spectrum AF-52-2207-21
Wiley ID 1876757