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(1R,2R,3S,4R,5Z,7S,8R,9S,10S,11R,12S,14S,17R)-BRIAEXCAVATIN-P
SpectraBase Compound ID D3J9gXpMQmT
InChI InChI=1S/C28H38O13/c1-11-9-19-28(27(8,41-28)25(35)40-19)23(38-15(5)31)20-12(2)17(33)10-18(36-13(3)29)26(20,7)24(39-16(6)32)21(34)22(11)37-14(4)30/h9,12,17-24,33-34H,10H2,1-8H3/b11-9-/t12-,17-,18-,19-,20+,21-,22+,23-,24-,26-,27-,28-/m0/s1
InChIKey XZIFPZJIAUXVRY-PIURBXLLSA-N
Mol Weight 582.6 g/mol
Molecular Formula C28H38O13
Exact Mass 582.231241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3p9l5DsCKxj
Name (1R,2R,3S,4R,5Z,7S,8R,9S,10S,11R,12S,14S,17R)-BRIAEXCAVATIN-P
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O13
InChI InChI=1S/C28H38O13/c1-11-9-19-28(27(8,41-28)25(35)40-19)23(38-15(5)31)20-12(2)17(33)10-18(36-13(3)29)26(20,7)24(39-16(6)32)21(34)22(11)37-14(4)30/h9,12,17-24,33-34H,10H2,1-8H3/b11-9-/t12-,17-,18-,19-,20+,21-,22+,23-,24-,26-,27-,28-/m0/s1
InChIKey XZIFPZJIAUXVRY-PIURBXLLSA-N
Literature Reference Author P.J.SUNG,M.R.LIN,T.L.HWANG,T.Y.FAN,W.C.SU,C.C.HO,L.S.FANG,W. H.WANG
Literature Reference Citation CHEM.PHARM.BULL.,56,930(2008)
Literature Reference DOI 10.1248/cpb.56.930
Molecular Weight 582.602 g/mol
Sample ID 1855
Solvent CDCl3