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4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)-5-(3-methyl-2-butenyl)phenyl]-2,3-dihydro-, (S)-
SpectraBase Compound ID 8RjWlRvLpDz
InChI InChI=1S/C28H28O10/c1-14(2)7-8-19-9-20(10-26(36-17(5)31)28(19)37-18(6)32)23-13-22(33)27-24(35-16(4)30)11-21(34-15(3)29)12-25(27)38-23/h7,9-12,23H,8,13H2,1-6H3/t23-/m0/s1
InChIKey ZHXCYPKQERCRJL-QHCPKHFHSA-N
Mol Weight 524.52 g/mol
Molecular Formula C28H28O10
Exact Mass 524.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6a4MqA1WJmQ
Name 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-[3,4-bis(acetyloxy)-5-(3-methyl-2-butenyl)phenyl]-2,3-dihydro-, (S)-
Alternate Name(s) (2S)-5-(acetyloxy)-2-[3,4-bis(acetyloxy)-5-(3-methyl-2-butenyl)phenyl]-4-oxo-3,4-dihydro-2H-chromen-7-yl acetate Sigmoidin B tetra acetate
CAS Registry Number 101910-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O10
InChI InChI=1S/C28H28O10/c1-14(2)7-8-19-9-20(10-26(36-17(5)31)28(19)37-18(6)32)23-13-22(33)27-24(35-16(4)30)11-21(34-15(3)29)12-25(27)38-23/h7,9-12,23H,8,13H2,1-6H3/t23-/m0/s1
InChIKey ZHXCYPKQERCRJL-QHCPKHFHSA-N
Molecular Weight 524.522 g/mol
SMILES c12C(C[C@](Oc2cc(cc1OC(=O)C)OC(=O)C)(c1cc(OC(=O)C)c(c(c1)CC=C(C)C)OC(=O)C)[H])=O
SPLASH splash10-001v-0002900000-061a202ae5ca2e2fa564
Source of Spectrum KC-1986-36-8
Wiley ID 1402512