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LEUCASTRIN-B;(3-S,17-S,20-S,24-S)-3,20,24-TRIHYDROXYPROTOST-25-ENE
SpectraBase Compound ID CwH6YdBeQZh
InChI InChI=1S/C30H52O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21-,22-,23-,24-,25-,27-,28-,29-,30-/m0/s1
InChIKey AOXTVVMIAYODJX-ACCIQSHXSA-N
Mol Weight 460.7 g/mol
Molecular Formula C30H52O3
Exact Mass 460.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CnGmIXtOv7
Name LEUCASTRIN-B;(3-S,17-S,20-S,24-S)-3,20,24-TRIHYDROXYPROTOST-25-ENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O3
InChI InChI=1S/C30H52O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21-,22-,23-,24-,25-,27-,28-,29-,30-/m0/s1
InChIKey AOXTVVMIAYODJX-ACCIQSHXSA-N
Literature Reference Author Y.MIYAICHI,A.SEGAWA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,54,1370(2006)
Literature Reference DOI 10.1248/cpb.54.1370
Molecular Weight 460.741 g/mol
Sample ID 37322
Solvent CDCl3