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Metachromin K
SpectraBase Compound ID 74n3dGt4IuK
InChI InChI=1S/C24H34O5/c1-15-9-8-11-23(3,16(15)2)13-14-24(4)12-10-17-18(25)20(26-5)22(28-7)21(27-6)19(17)29-24/h9-10,12,16,25H,8,11,13-14H2,1-7H3/t16-,23-,24?/m1/s1
InChIKey HPDUVVVFJDKTNM-RDPBUDMDSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYKB2UbPhOx
Name Metachromin K
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O5
InChI InChI=1S/C24H34O5/c1-15-9-8-11-23(3,16(15)2)13-14-24(4)12-10-17-18(25)20(26-5)22(28-7)21(27-6)19(17)29-24/h9-10,12,16,25H,8,11,13-14H2,1-7H3/t16-,23-,24?/m1/s1
InChIKey HPDUVVVFJDKTNM-RDPBUDMDSA-N
Molecular Weight 402.531 g/mol
SMILES Oc1c2c(c(c(c1OC)OC)OC)OC(C=C2)(CC[C@@]1([C@@](C(C)=CCC1)(C)[H])C)C
SPLASH splash10-0udi-0090100000-a64e9d97da111d4858b2
Source of Spectrum H1-67-795-2
Synonyms 6,7,8-trimethoxy-2-methyl-2-[2-[(1R,2S)-1,2,3-trimethyl-1-cyclohex-3-enyl]ethyl]-1-benzopyran-5-ol
Wiley ID 1593462