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APPLANOXIDIC-ACID-B;3-BETA-HYDROXY-7-ALPHA,8-ALPHA-EPOXY-12,15,23-TRIOXO-5-ALPHA-LANOSTA-9(11),20E-DIEN-26-OIC-ACID
SpectraBase Compound ID BWmW0TAl1Ri
InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,21,24,32H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,21+,24-,27+,28+,29-,30+/m1/s1
InChIKey FQEMSQQCAVCVGA-VLEUVSMVSA-N
Mol Weight 512.6 g/mol
Molecular Formula C30H40O7
Exact Mass 512.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gs7c5T0w6QP
Name APPLANOXIDIC-ACID-B;3-BETA-HYDROXY-7-ALPHA,8-ALPHA-EPOXY-12,15,23-TRIOXO-5-ALPHA-LANOSTA-9(11),20E-DIEN-26-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O7
InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,21,24,32H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,21+,24-,27+,28+,29-,30+/m1/s1
InChIKey FQEMSQQCAVCVGA-VLEUVSMVSA-N
Literature Reference Author C.T.TOKUYAMA,Y.HAYASHI,M.NISHIZAWA,H.TOKUDA,S.M.CHAIRUL,Y.HA YASHI
Literature Reference Citation PHYTOCHEM.,30,4105(1991)
Literature Reference DOI 10.1016/0031-9422(91)83476-2
Molecular Weight 512.643 g/mol
Solvent CDCl3
Source File Reference UWLU28257