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11-O-ACETYL-12-O-BENZOYL-17-BETA-MARSDENIN;5,6-DIDEHYDROCYNAFOGENIN
SpectraBase Compound ID 2cD7Xy2NAC0
InChI InChI=1S/C30H38O8/c1-17(31)22-12-15-30(36)28(22,4)25(38-26(34)19-8-6-5-7-9-19)23(37-18(2)32)24-27(3)13-11-21(33)16-20(27)10-14-29(24,30)35/h5-10,21-25,33,35-36H,11-16H2,1-4H3/t21-,22+,23-,24+,25+,27-,28-,29-,30+/m0/s1
InChIKey VBCXOSHRKXVLTQ-BKCAGBKISA-N
Mol Weight 526.6 g/mol
Molecular Formula C30H38O8
Exact Mass 526.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55s5X0GRRRw
Name 11-O-ACETYL-12-O-BENZOYL-17-BETA-MARSDENIN;5,6-DIDEHYDROCYNAFOGENIN
Compound Number A-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38O8
InChI InChI=1S/C30H38O8/c1-17(31)22-12-15-30(36)28(22,4)25(38-26(34)19-8-6-5-7-9-19)23(37-18(2)32)24-27(3)13-11-21(33)16-20(27)10-14-29(24,30)35/h5-10,21-25,33,35-36H,11-16H2,1-4H3/t21-,22+,23-,24+,25+,27-,28-,29-,30+/m0/s1
InChIKey VBCXOSHRKXVLTQ-BKCAGBKISA-N
Literature Reference Author F.ABE,H.FUJISHIMA,Y.IWASE,T.YAMAUCHI,K.KINJO,S.YAGA
Literature Reference Citation CHEM.PHARM.BULL.,47,1128(1999)
Literature Reference DOI 10.1248/cpb.47.1128
Molecular Weight 526.627 g/mol
Solvent CD3OD
Source File Reference UWLU8162