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(1R,3R,Z)-5-(2-((7aR,E)-1-((2R)-4,6-dihydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylene-2-propoxycyclohexane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,3R,Z)-5-(2-((7aR,E)-1-((2R)-4,6-dihydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylene-2-propoxycyclohexane-1,3-diol
SpectraBase Compound ID Ee55KAgwhXG
InChI InChI=1S/C30H50O5/c1-7-15-35-28-26(32)17-22(20(3)27(28)33)11-10-21-9-8-14-30(6)24(12-13-25(21)30)19(2)16-23(31)18-29(4,5)34/h10-11,19,23-28,31-34H,3,7-9,12-18H2,1-2,4-6H3/b21-10+,22-11-/t19-,23?,24?,25?,26-,27-,28?,30-/m1/s1
InChIKey WSFXCXBLPVDZDX-MAKDTHJVSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APFCSTA90or
Name (1R,3R,Z)-5-(2-((7aR,E)-1-((2R)-4,6-dihydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylene-2-propoxycyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-7-15-35-28-26(32)17-22(20(3)27(28)33)11-10-21-9-8-14-30(6)24(12-13-25(21)30)19(2)16-23(31)18-29(4,5)34/h10-11,19,23-28,31-34H,3,7-9,12-18H2,1-2,4-6H3/b21-10+,22-11-/t19-,23?,24?,25?,26-,27-,28?,30-/m1/s1
InChIKey WSFXCXBLPVDZDX-MAKDTHJVSA-N
Molecular Weight 490.725 g/mol
SMILES OC(CC(C[C@](C1CCC2\C(=C\C=C/3C([C@](C([C@@](C3)(O)[H])OCCC)(O)[H])=C)CCC[C@]12C)(C)[H])O)(C)C
SPLASH splash10-0092-0009800000-863205afb54d2a53b7c9
Source of Spectrum Nozomi Saito, et al. Bioorganic & Medicinal Chemistry, V.17, 2009, P.4296-4301
Wiley ID 1816313