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

View entire compound with spectra: 1 MS (GC)

(6R)-6-((7aR,E)-4-((Z)-2-((3R,5R)-3,5-dihydroxy-2-methylene-4-propoxycyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2-hydroxy-2-methylheptan-4-one
SpectraBase Compound ID 5JIdlTLvbWn
InChI InChI=1S/C30H48O5/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/h10-11,19,24-28,32-34H,3,7-9,12-18H2,1-2,4-6H3/b21-10+,22-11-/t19-,24?,25?,26-,27-,28?,30-/m1/s1
InChIKey YZEDQLVDONFBHJ-HIFPIPNJSA-N
Mol Weight 488.7 g/mol
Molecular Formula C30H48O5
Exact Mass 488.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSw3ffwBIhs
Name (6R)-6-((7aR,E)-4-((Z)-2-((3R,5R)-3,5-dihydroxy-2-methylene-4-propoxycyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2-hydroxy-2-methylheptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O5
InChI InChI=1S/C30H48O5/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/h10-11,19,24-28,32-34H,3,7-9,12-18H2,1-2,4-6H3/b21-10+,22-11-/t19-,24?,25?,26-,27-,28?,30-/m1/s1
InChIKey YZEDQLVDONFBHJ-HIFPIPNJSA-N
Molecular Weight 488.709 g/mol
SMILES OC(CC(C[C@](C1[C@@]2(C(\C(=C\C=C\3C[C@](C([C@@](C3=C)(O)[H])OCCC)(O)[H])CCC2)CC1)C)(C)[H])=O)(C)C
SPLASH splash10-022l-0007900000-24702c3a163c62aed24a
Source of Spectrum Nozomi Saito, et al. Bioorganic & Medicinal Chemistry, V.17, 2009, P.4296-4301
Wiley ID 1816314