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TUBOCAPSANOLIDE_D;4-BETA,5-BETA,6-ALPHA,17-ALPHA-TETRAHYDROXY-1-OXO-WITHA-2,24-DIENOLIDE
SpectraBase Compound ID KeVmsLlHcq9
InChI InChI=1S/C28H40O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23+,25+,26+,27+,28-/m1/s1
InChIKey RGWWJKQOLUSAOK-LZXUJXKGSA-N
Mol Weight 488.6 g/mol
Molecular Formula C28H40O7
Exact Mass 488.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dOyGnPnlWT
Name TUBOCAPSANOLIDE_D;4-BETA,5-BETA,6-ALPHA,17-ALPHA-TETRAHYDROXY-1-OXO-WITHA-2,24-DIENOLIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O7
InChI InChI=1S/C28H40O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17+,18+,19+,20-,22+,23+,25+,26+,27+,28-/m1/s1
InChIKey RGWWJKQOLUSAOK-LZXUJXKGSA-N
Literature Reference Author P.W.HSIEH,Z.Y.HUANG,J.H.CHEN,F.R.CHANG,C.C.WU,Y.L.YANG,M.Y.C HIANG,M.H.YEN,S.L.CH
Literature Reference Citation J.NAT.PROD.,70,747(2007)
Literature Reference DOI 10.1021/np0605541
Molecular Weight 488.621 g/mol
Sample ID 30226
Solvent CDCl3