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7.beta.,23.xi.-Dihydroxy-3,11,15-trioxolanosta-8,20E(22)-dien-26-oic acid
SpectraBase Compound ID 4ssm69atdAY
InChI InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16-19,21,31-32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,17?,18-,19+,21+,28+,29-,30+/m1/s1
InChIKey GYRZOSZQWPIJBT-XZIWTQQDSA-N
Mol Weight 514.7 g/mol
Molecular Formula C30H42O7
Exact Mass 514.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64cR4p2UdI5
Name 7-BETA,23-XI-DIHYDROXY-3,11,15-TRIOXOLANOSTA-8,20E(22)-DIEN-26-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O7
InChI InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16-19,21,31-32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,17?,18-,19+,21+,28+,29-,30+/m1/s1
InChIKey GYRZOSZQWPIJBT-XZIWTQQDSA-N
Literature Reference Author S.H.SHIM,J.RYU,J.S.KIM,S.S.KANG,Y.XU,S.H.JUNG,Y.S.LEE,S.LEE, K.H.SHIN
Literature Reference Citation J.NAT.PROD.,67,1110(2004)
Literature Reference DOI 10.1021/np030383p
Molecular Weight 514.659 g/mol
Solvent CDCl3
Source File Reference UWMZ5541