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2-BETA-ACETOXY-1-BETA,8-DIANGELOYLOXY-4-ALPHA,10-DICHLORO-3-BETA,11-DIHYDROXY-BISABOL-7(14)-ENE
SpectraBase Compound ID F9XBXpzo1zm
InChI InChI=1S/C27H40Cl2O8/c1-10-14(3)24(31)36-19(13-20(28)26(7,8)33)16(5)18-12-21(29)27(9,34)23(35-17(6)30)22(18)37-25(32)15(4)11-2/h10-11,18-23,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19-,20-,21+,22+,23+,27-/m1/s1
InChIKey ROPABYFOKXHWBR-BVENTLCASA-N
Mol Weight 563.5 g/mol
Molecular Formula C27H40Cl2O8
Exact Mass 562.210024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68EFblxtV7b
Name 2-BETA-ACETOXY-1-BETA,8-DIANGELOYLOXY-4-ALPHA,10-DICHLORO-3-BETA,11-DIHYDROXY-BISABOL-7(14)-ENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40Cl2O8
InChI InChI=1S/C27H40Cl2O8/c1-10-14(3)24(31)36-19(13-20(28)26(7,8)33)16(5)18-12-21(29)27(9,34)23(35-17(6)30)22(18)37-25(32)15(4)11-2/h10-11,18-23,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19-,20-,21+,22+,23+,27-/m1/s1
InChIKey ROPABYFOKXHWBR-BVENTLCASA-N
Literature Reference Author Y.ZHU,L.YANG,Z.J.JIA
Literature Reference Citation J.NAT.PROD.,62,1479(1999)
Literature Reference DOI 10.1021/np990044p
Molecular Weight 563.516 g/mol
Solvent CDCl3
Source File Reference UWCS21575