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11-ACETOXY-24-METHYLENE-1-BETA,3-BETA,6-ALPHA-TRIHYDROXY-9,11-SECO-CHOLEST-7-EN-9-ONE
SpectraBase Compound ID FUWd3DbPfZC
InChI InChI=1S/C30H48O6/c1-17(2)18(3)8-9-19(4)23-10-11-24(29(23,6)12-13-36-20(5)31)22-16-26(33)25-14-21(32)15-27(34)30(25,7)28(22)35/h16-17,19,21,23-27,32-34H,3,8-15H2,1-2,4-7H3/t19-,21-,23-,24+,25-,26+,27-,29-,30-/m1/s1
InChIKey CIYCVNUUSJDGLZ-OYDWWHDJSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H48O6
Exact Mass 504.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbYyCYyMbs9
Name 11-ACETOXY-24-METHYLENE-1-BETA,3-BETA,6-ALPHA-TRIHYDROXY-9,11-SECO-CHOLEST-7-EN-9-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O6
InChI InChI=1S/C30H48O6/c1-17(2)18(3)8-9-19(4)23-10-11-24(29(23,6)12-13-36-20(5)31)22-16-26(33)25-14-21(32)15-27(34)30(25,7)28(22)35/h16-17,19,21,23-27,32-34H,3,8-15H2,1-2,4-7H3/t19-,21-,23-,24+,25-,26+,27-,29-,30-/m1/s1
InChIKey CIYCVNUUSJDGLZ-OYDWWHDJSA-N
Literature Reference Author Y.J.TSENG,S.K.WANG,C.Y.DUH
Literature Reference Citation MAR.DRUGS,11,3288(2013)
Literature Reference DOI 10.3390/md11093288
Molecular Weight 504.708 g/mol
Source File Reference UWBT6416