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CALCICLIN_B;(REL)-10-BETA-D-TRANS-1-BETA,12-XI-DI-(2-METHYLBUT-2-(E)-ENOYL)-6-ALPHA,13-XI-DIHYDROXYCLERODAN-4(20),8(18)-DIEN-7,15-DION

View entire compound with spectra: 1 NMR

CALCICLIN_B;(REL)-10-BETA-D-TRANS-1-BETA,12-XI-DI-(2-METHYLBUT-2-(E)-ENOYL)-6-ALPHA,13-XI-DIHYDROXYCLERODAN-4(20),8(18)-DIEN-7,15-DION
SpectraBase Compound ID F1ZR7BDvwFa
InChI InChI=1S/C30H40O9/c1-9-16(3)26(34)38-20-12-11-18(5)29(8)24(20)28(7,19(6)23(32)25(29)33)13-21(39-27(35)17(4)10-2)30(36)14-22(31)37-15-30/h9-10,20-21,24-25,33,36H,5-6,11-15H2,1-4,7-8H3/b16-9+,17-10+/t20-,21?,24-,25+,28+,29+,30?/m1/s1
InChIKey YAVSXXCNYSDBDY-ZFGMKDOBSA-N
Mol Weight 544.6 g/mol
Molecular Formula C30H40O9
Exact Mass 544.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YokdLjSzuU
Name CALCICLIN_B;(REL)-10-BETA-D-TRANS-1-BETA,12-XI-DI-(2-METHYLBUT-2-(E)-ENOYL)-6-ALPHA,13-XI-DIHYDROXYCLERODAN-4(20),8(18)-DIEN-7,15-DION
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O9
InChI InChI=1S/C30H40O9/c1-9-16(3)26(34)38-20-12-11-18(5)29(8)24(20)28(7,19(6)23(32)25(29)33)13-21(39-27(35)17(4)10-2)30(36)14-22(31)37-15-30/h9-10,20-21,24-25,33,36H,5-6,11-15H2,1-4,7-8H3/b16-9+,17-10+/t20-,21?,24-,25+,28+,29+,30?/m1/s1
InChIKey YAVSXXCNYSDBDY-ZFGMKDOBSA-N
Literature Reference Author H.L.RASIKARI,D.N.LEACH,P.G.WATERMAN,R.N.SPOONER-HART,A.H.BAS TA,L.K.BANBURY,K.M.W
Literature Reference Citation PHYTOCHEM.,66,2844(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.09.024
Molecular Weight 544.642 g/mol
Solvent CDCl3
Source File Reference UWMZ19807