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ZHANKUIC-ACID-A;4-ALPHA-METHYL-ERGOSTA-8,24(28)-DIEN-3,7,11-TRIONE-26-OIC-ACID
SpectraBase Compound ID 9BjNOvUllg0
InChI InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21?,28+,29-/m1/s1
InChIKey DVORYMAGXQGBQK-JQSSRXJYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57O8W2g7fT2
Name ZHANKUIC-ACID-A;4-ALPHA-METHYL-ERGOSTA-8,24(28)-DIEN-3,7,11-TRIONE-26-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21?,28+,29-/m1/s1
InChIKey DVORYMAGXQGBQK-JQSSRXJYSA-N
Literature Reference Author C.H.CHEN,S.W.YANG,Y.C.SHEN
Literature Reference Citation J.NAT.PROD.,58,1655(1995)
Literature Reference DOI 10.1021/np50125a002
Molecular Weight 468.634 g/mol
Solvent CDCl3
Source File Reference UWCS22800