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(+)-CRINEMODIN-RHODOPTILOMETRIN_BIANTHRONE
SpectraBase Compound ID AyzSfc5LcJX
InChI InChI=1S/C34H30O9/c1-3-5-14-6-18-27(20-10-16(35)12-25(40)31(20)33(42)29(18)23(38)7-14)28-19-8-15(22(37)4-2)9-24(39)30(19)34(43)32-21(28)11-17(36)13-26(32)41/h6-13,22,27-28,35-41H,3-5H2,1-2H3
InChIKey HNVAUIAUYIAJAJ-UHFFFAOYSA-N
Mol Weight 582.6 g/mol
Molecular Formula C34H30O9
Exact Mass 582.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxhVHnlgmaL
Name 1,3,8-trihydroxy-6-propyl-10-[2,4,5-trihydroxy-7-(1-hydroxypropyl)-10-keto-9H-anthracen-9-yl]-10H-anthracen-9-one
CAS Registry Number 97888-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30O9
InChI InChI=1S/C34H30O9/c1-3-5-14-6-18-27(20-10-16(35)12-25(40)31(20)33(42)29(18)23(38)7-14)28-19-8-15(22(37)4-2)9-24(39)30(19)34(43)32-21(28)11-17(36)13-26(32)41/h6-13,22,27-28,35-41H,3-5H2,1-2H3
InChIKey HNVAUIAUYIAJAJ-UHFFFAOYSA-N
Molecular Weight 582.605 g/mol
SMILES Oc1c2c(C(C3c4c(C(c5c(cc(cc35)O)O)=O)c(cc(c4)CCC)O)c3cc(cc(c3C2=O)O)O)cc(c1)C(O)CC
SPLASH splash10-001l-0090000000-643a70a1d26f7466f050
Source of Spectrum B-38-804-2
Synonyms 1,3,8-trihydroxy-6-propyl-10-[2,4,5-trihydroxy-7-(1-hydroxypropyl)-10-oxo-9H-anthracen-9-yl]-10H-anthracen-9-one 1,3,8-tris(oxidanyl)-6-propyl-10-[2,4,5-tris(oxidanyl)-10-oxidanylidene-7-(1-oxidanylpropyl)-9H-anthracen-9-yl]-10H-anthracen-9-one
Wiley ID 1408672