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3,5,4'-Triacetyl-scariosin
SpectraBase Compound ID L1V4SXlqD64
InChI InChI=1S/C28H30O10/c1-14(2)8-10-19-21(33-6)13-23(36-16(4)30)24-25(32)28(37-17(5)31)26(38-27(19)24)18-9-11-20(35-15(3)29)22(12-18)34-7/h8-9,11-13,26,28H,10H2,1-7H3/t26-,28+/m1/s1
InChIKey ZENJTXAAOIUSDK-IAPPQJPRSA-N
Mol Weight 526.54 g/mol
Molecular Formula C28H30O10
Exact Mass 526.183897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxwtwMggaYt
Name 3,5,4'-Triacetyl-scariosin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O10
InChI InChI=1S/C28H30O10/c1-14(2)8-10-19-21(33-6)13-23(36-16(4)30)24-25(32)28(37-17(5)31)26(38-27(19)24)18-9-11-20(35-15(3)29)22(12-18)34-7/h8-9,11-13,26,28H,10H2,1-7H3/t26-,28+/m1/s1
InChIKey ZENJTXAAOIUSDK-IAPPQJPRSA-N
Molecular Weight 526.538 g/mol
SMILES c12c(O[C@@]([C@](C2=O)(OC(=O)C)[H])(c2cc(OC)c(cc2)OC(=O)C)[H])c(CC=C(C)C)c(cc1OC(=O)C)OC
SPLASH splash10-05q9-0970600000-c3212eb459208867093b
Source of Spectrum X2-55-1154-1
Wiley ID 1604542