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(-)-(5-E,12-E,2-S,3-S,4-S,9-S,11-S,15-R)-15-BENZOYLOXYLATHYRA-5,12-DIEN-3-OL-14-ONE
SpectraBase Compound ID DXjCafc3CX7
InChI InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21+,22-,23-,27+/m0/s1
InChIKey JQVANXRIXMMSKB-LXZIDKIQSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cVuPkP0vIk
Name (-)-(5-E,12-E,2-S,3-S,4-S,9-S,11-S,15-R)-15-BENZOYLOXYLATHYRA-5,12-DIEN-3-OL-14-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21+,22-,23-,27+/m0/s1
InChIKey JQVANXRIXMMSKB-LXZIDKIQSA-N
Literature Reference Author Y.TIAN,W.XU,C.ZHU,S.LIN,Y.LI,L.XIONG,S.WANG,L.WANG,Y.YANG,Y. GUO,H.SUN,X.WANG,J.S
Literature Reference Citation J.NAT.PROD.,74,1221(2011)
Literature Reference DOI 10.1021/np2001489
Molecular Weight 422.565 g/mol
Sample ID 38288
Solvent ACETONE-D6