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5-Oxo-3-(acetylcarbonyl)-9-[1'-((3"-methyl-5"-hydroxypyridyn-2"-yl)ethyl]-9b,11b-dimethyl-(perhydro)indano[4,5-h]naphthalene

View entire compound with spectra: 1 MS (GC)

5-Oxo-3-(acetylcarbonyl)-9-[1'-((3"-methyl-5"-hydroxypyridyn-2"-yl)ethyl]-9b,11b-dimethyl-(perhydro)indano[4,5-h]naphthalene
SpectraBase Compound ID 6JokKu99vu4
InChI InChI=1S/C29H41NO4/c1-16-12-26(33)27(30-15-16)17(2)21-6-7-22-20-14-25(32)24-13-19(34-18(3)31)8-10-29(24,5)23(20)9-11-28(21,22)4/h12,15,17,19-24,33H,6-11,13-14H2,1-5H3/t17?,19?,20-,21+,22-,23?,24+,28?,29?/m0/s1
InChIKey GANKTJHOGMIBAJ-SBJQLNMXSA-N
Mol Weight 467.7 g/mol
Molecular Formula C29H41NO4
Exact Mass 467.303559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZgSaYUkSTp
Name 5-Oxo-3-(acetylcarbonyl)-9-[1'-((3"-methyl-5"-hydroxypyridyn-2"-yl)ethyl]-9b,11b-dimethyl-(perhydro)indano[4,5-h]naphthalene
Alternate Name(s) Acetic acid (5S,8S,14S,17R)-17-[1-(3-hydroxy-5-methyl-pyridin-2-yl)-ethyl]-10,13-dimethyl-6-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester Verdinine
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Formula C29H41NO4
InChI InChI=1S/C29H41NO4/c1-16-12-26(33)27(30-15-16)17(2)21-6-7-22-20-14-25(32)24-13-19(34-18(3)31)8-10-29(24,5)23(20)9-11-28(21,22)4/h12,15,17,19-24,33H,6-11,13-14H2,1-5H3/t17?,19?,20-,21+,22-,23?,24+,28?,29?/m0/s1
InChIKey GANKTJHOGMIBAJ-SBJQLNMXSA-N
Molecular Weight 467.650 g/mol
SMILES Oc1c(C([C@@]2(C3([C@]([C@@]4(CC(=O)[C@@]5(C(C4CC3)(CCC(OC(=O)C)C5)C)[H])[H])(CC2)[H])C)[H])C)ncc(c1)C
SPLASH splash10-000l-0902400000-ea3ae29aeff8daab45d2
Source of Spectrum X3-35-127-L
Wiley ID 1691782