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(25R)-12-BETA,17-ALPHA-DIHYDROXYSPIROST-4-EN-3-ONE;ASPARACOSIN-A
SpectraBase Compound ID 8bQsAop8snv
InChI InChI=1S/C27H40O5/c1-15-7-10-26(31-14-15)16(2)27(30)23(32-26)13-21-19-6-5-17-11-18(28)8-9-24(17,3)20(19)12-22(29)25(21,27)4/h11,15-16,19-23,29-30H,5-10,12-14H2,1-4H3/t15-,16-,19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1
InChIKey YWWQQPDLTAKFSH-ANLDUCOMSA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H40O5
Exact Mass 444.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxXU97K7Zt7
Name (25R)-12-BETA,17-ALPHA-DIHYDROXYSPIROST-4-EN-3-ONE;ASPARACOSIN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O5
InChI InChI=1S/C27H40O5/c1-15-7-10-26(31-14-15)16(2)27(30)23(32-26)13-21-19-6-5-17-11-18(28)8-9-24(17,3)20(19)12-22(29)25(21,27)4/h11,15-16,19-23,29-30H,5-10,12-14H2,1-4H3/t15-,16-,19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1
InChIKey YWWQQPDLTAKFSH-ANLDUCOMSA-N
Literature Reference Author H.J.ZHANG,K.SYDARA,G.T.TAN,C.MA,B.SOUTHAVONG,D.D.SOEJARTO,J. M.PEZZUTO,H.H.S.FONG
Literature Reference Citation J.NAT.PROD.,67,194(2004)
Literature Reference DOI 10.1021/np030370b
Molecular Weight 444.612 g/mol
Solvent CDCl3
Source File Reference UWKP3707