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4H-pyran-3-carboxylic acid, 5-((decahydro-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)methyl)-6-methoxy-2-methyl-4-oxo-, methyl ester, (1alpha,4aalpha,5alpha,6alpha,8abeta)-

View entire compound with spectra: 1 MS (GC)

4H-pyran-3-carboxylic acid, 5-((decahydro-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)methyl)-6-methoxy-2-methyl-4-oxo-, methyl ester, (1alpha,4aalpha,5alpha,6alpha,8abeta)-
SpectraBase Compound ID 1mmArg2VW6O
InChI InChI=1S/C28H42O7/c1-16-9-10-20-27(5,12-11-21(29)28(20,6)14-13-26(3,4)32)19(16)15-18-23(30)22(24(31)33-7)17(2)35-25(18)34-8/h19-21,29,32H,1,9-15H2,2-8H3/t19-,20-,21-,27-,28-/m1/s1
InChIKey IUNGBSYMDFEAMS-CGNPMYTQSA-N
Mol Weight 490.6 g/mol
Molecular Formula C28H42O7
Exact Mass 490.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEdy3RaQoi0
Name 4H-pyran-3-carboxylic acid, 5-((decahydro-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)methyl)-6-methoxy-2-methyl-4-oxo-, methyl ester, (1alpha,4aalpha,5alpha,6alpha,8abeta)-
Alternate Name(s) Colletotrichin
CAS Registry Number 61235-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O7
InChI InChI=1S/C28H42O7/c1-16-9-10-20-27(5,12-11-21(29)28(20,6)14-13-26(3,4)32)19(16)15-18-23(30)22(24(31)33-7)17(2)35-25(18)34-8/h19-21,29,32H,1,9-15H2,2-8H3/t19-,20-,21-,27-,28-/m1/s1
InChIKey IUNGBSYMDFEAMS-CGNPMYTQSA-N
Molecular Weight 490.637 g/mol
SMILES OC(CC[C@@]1([C@@]2(CCC([C@]([C@]2(CC[C@]1(O)[H])C)(CC=1C(C(C(=O)OC)=C(OC1OC)C)=O)[H])=C)[H])C)(C)C
SPLASH splash10-03xu-6970500000-2df780ae996e2e41074e
Source of Spectrum W5-0-0-0
Wiley ID 1397266