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(E,6R)-2-methyl-6-[(3S,7S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-bis(oxidanyl)-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

View entire compound with spectra: 1 MS (GC)

(E,6R)-2-methyl-6-[(3S,7S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-bis(oxidanyl)-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
SpectraBase Compound ID 90PBfXEBK1g
InChI InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+/t16-,18-,19+,21?,22+,28+,29-,30+/m1/s1
InChIKey NJZMSAAKSXZIEC-IWEBYRLLSA-N
Mol Weight 500.7 g/mol
Molecular Formula C30H44O6
Exact Mass 500.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT7uDxFjYgL
Name (E,6R)-2-methyl-6-[(3S,7S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-bis(oxidanyl)-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O6
InChI InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+/t16-,18-,19+,21?,22+,28+,29-,30+/m1/s1
InChIKey NJZMSAAKSXZIEC-IWEBYRLLSA-N
Molecular Weight 500.676 g/mol
SMILES O[C@]1(CC2C([C@](CC[C@@]2(C2=C1[C@]1([C@@]([C@@]([C@@](CC\C=C\(C(=O)O)C)(C)[H])(CC1=O)[H])(CC2=O)C)C)C)(O)[H])(C)C)[H]
SPLASH splash10-0pir-0009230000-6c743d2b9133a599b15a
Source of Spectrum E2-46-1610-2
Synonyms (E,6R)-6-[(3S,7S,10S,13R,14R,17R)-3,7-dihydroxy-11,15-diketo-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid (E,6R)-6-[(3S,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-heptenoic acid (E,6R)-6-[(3S,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Wiley ID 1554581