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Marchantin I
SpectraBase Compound ID DY19elJ7yxN
InChI InChI=1S/C29H26O4/c1-31-25-14-16-28-23(19-25)11-7-20-8-12-24(13-9-20)32-29-18-22(10-15-27(29)30)6-5-21-3-2-4-26(17-21)33-28/h2-4,8-10,12-19,30H,5-7,11H2,1H3
InChIKey QVSFOJOFQMCJND-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C29H26O4
Exact Mass 438.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZgFYY3ReIy
Name Marchantin I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26O4
InChI InChI=1S/C29H26O4/c1-31-25-14-16-28-23(19-25)11-7-20-8-12-24(13-9-20)32-29-18-22(10-15-27(29)30)6-5-21-3-2-4-26(17-21)33-28/h2-4,8-10,12-19,30H,5-7,11H2,1H3
InChIKey QVSFOJOFQMCJND-UHFFFAOYSA-N
Molecular Weight 438.523 g/mol
SMILES Oc1c2Oc3ccc(cc3)CCc3cc(OC)ccc3Oc3cc(CCc(c2)cc1)ccc3
SPLASH splash10-02br-6970700000-ae33dbdce91e250ea816
Source of Spectrum U1-1998-883-3
Synonyms 19-Methoxy-2,15-dioxapentacyclo[22.2.2.1(3,7).1(10,14).0(16,21)]triaconta-1(26),3(30),4,6,10(29),11,13,16,18,20,24,27-dodecaen-4-ol
Wiley ID 751204