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8a,13-epoxy-2-(p-toluenesulfonylhydrazono)labdan-20-oic acid
SpectraBase Compound ID I7FBDNTB7cF
InChI InChI=1S/C27H40N2O5S/c1-7-25(5)14-12-22-26(6)17-19(28-29-35(32,33)20-10-8-18(2)9-11-20)16-24(3,4)21(26)13-15-27(22,34-25)23(30)31/h8-11,21-22,29H,7,12-17H2,1-6H3,(H,30,31)/b28-19+/t21-,22+,25-,26-,27+/m0/s1
InChIKey WOCFRONTFAAGOM-BDGRNIINSA-N
Mol Weight 504.7 g/mol
Molecular Formula C27H40N2O5S
Exact Mass 504.265794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mu2WGrgkkb
Name 8a,13-epoxy-2-(p-toluenesulfonylhydrazono)labdan-20-oic acid
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Formula C27H40N2O5S
InChI InChI=1S/C27H40N2O5S/c1-7-25(5)14-12-22-26(6)17-19(28-29-35(32,33)20-10-8-18(2)9-11-20)16-24(3,4)21(26)13-15-27(22,34-25)23(30)31/h8-11,21-22,29H,7,12-17H2,1-6H3,(H,30,31)/b28-19+/t21-,22+,25-,26-,27+/m0/s1
InChIKey WOCFRONTFAAGOM-BDGRNIINSA-N
Molecular Weight 504.686 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\1C[C@@]2([C@@]3([C@@](C(=O)O)(CC[C@]2(C(C1)(C)C)[H])O[C@](CC3)(CC)C)[H])C
SPLASH splash10-014i-0039200000-202e11fd61eb564dcf19
Source of Spectrum B-44-487-0
Synonyms (3S,4aR,6aS,9E,10aS,10bR)-3-ethyl-3,7,7,10a-tetramethyl-9-{[(4-methylphenyl)sulfonyl]hydrazono}dodecahydro-4aH-benzo[f]chromene-4a-carboxylic acid
Wiley ID 1399529