John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1HXTxI0XSn6 SpectraBase Spectrum ID=HHl6HO144uN

(accessed ).
11,12-DI-O-ACETYLMARSECTOHEXOL;12-O-ACETYLANCEOGENIN
SpectraBase Compound ID 1HXTxI0XSn6
InChI InChI=1S/C25H38O8/c1-13(26)18-8-11-25(31)23(18,5)21(33-15(3)28)19(32-14(2)27)20-22(4)9-7-17(29)12-16(22)6-10-24(20,25)30/h6,13,17-21,26,29-31H,7-12H2,1-5H3/t13-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m0/s1
InChIKey JBQVNTFIPFQJOW-WNTKOVCOSA-N
Mol Weight 466.6 g/mol
Molecular Formula C25H38O8
Exact Mass 466.256669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHl6HO144uN
Name 11,12-DI-O-ACETYLMARSECTOHEXOL;12-O-ACETYLANCEOGENIN
Compound Number A-10
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O8
InChI InChI=1S/C25H38O8/c1-13(26)18-8-11-25(31)23(18,5)21(33-15(3)28)19(32-14(2)27)20-22(4)9-7-17(29)12-16(22)6-10-24(20,25)30/h6,13,17-21,26,29-31H,7-12H2,1-5H3/t13-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m0/s1
InChIKey JBQVNTFIPFQJOW-WNTKOVCOSA-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 466.572 g/mol
Solvent CD3OD
Source File Reference UWLU8165
SpectraBase Batch ID YBkTpoIuPi