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2.beta.-Acetoxy-1.beta.,8-diangeloyloxy-3.beta.,4.beta.-epoxy-10,11-dihydroxybisabol-7(14)-ene
SpectraBase Compound ID Rzeg4hEaRq
InChI InChI=1S/C27H40O9/c1-10-14(3)24(30)34-19(13-20(29)26(7,8)32)16(5)18-12-21-27(9,36-21)23(33-17(6)28)22(18)35-25(31)15(4)11-2/h10-11,18-23,29,32H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19?,20?,21-,22+,23+,27-/m0/s1
InChIKey IVEGYWVZZSEOAC-ZCJZURPMSA-N
Mol Weight 508.6 g/mol
Molecular Formula C27H40O9
Exact Mass 508.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72tBzWfUsdX
Name 2.beta.-Acetoxy-1.beta.,8-diangeloyloxy-3.beta.,4.beta.-epoxy-10,11-dihydroxybisabol-7(14)-ene
Alternate Name(s) (1S,2R,3R,4S,6S)-2-(acetyloxy)-4-[1-(3,4-dihydroxy-4-methyl-1-{[(2E)-2-methyl-2-butenoyl]oxy}pentyl)vinyl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-yl (2E)-2-methyl-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O9
InChI InChI=1S/C27H40O9/c1-10-14(3)24(30)34-19(13-20(29)26(7,8)32)16(5)18-12-21-27(9,36-21)23(33-17(6)28)22(18)35-25(31)15(4)11-2/h10-11,18-23,29,32H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19?,20?,21-,22+,23+,27-/m0/s1
InChIKey IVEGYWVZZSEOAC-ZCJZURPMSA-N
Molecular Weight 508.608 g/mol
SMILES OC(C(CC(C([C@]1([C@]([C@]([C@]2(O[C@]2(C1)[H])C)(OC(=O)C)[H])(OC(\C(=C\C)C)=O)[H])[H])=C)OC(\C(=C\C)C)=O)O)(C)C
SPLASH splash10-00di-9000000000-387920109c0c87ae3798
Source of Spectrum B-53-834-1
Wiley ID 810970