For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 5,7,8'-tris(acetyloxy)-2',2'-dimethyl-, (S)-
SpectraBase Compound ID 7ZfbgCnj1FS
InChI InChI=1S/C26H24O9/c1-13(27)31-18-10-21(32-14(2)28)24-19(30)12-20(34-22(24)11-18)17-8-16-6-7-26(4,5)35-25(16)23(9-17)33-15(3)29/h6-11,20H,12H2,1-5H3/t20-/m0/s1
InChIKey AHYOPZGTDNXHAE-FQEVSTJZSA-N
Mol Weight 480.47 g/mol
Molecular Formula C26H24O9
Exact Mass 480.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HEaHf6hOj
Name [2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 5,7,8'-tris(acetyloxy)-2',2'-dimethyl-, (S)-
Alternate Name(s) (2S)-7-(acetyloxy)-2-[8-(acetyloxy)-2,2-dimethyl-2H-chromen-6-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl acetate Sigmoidin C triacetate
CAS Registry Number 101910-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O9
InChI InChI=1S/C26H24O9/c1-13(27)31-18-10-21(32-14(2)28)24-19(30)12-20(34-22(24)11-18)17-8-16-6-7-26(4,5)35-25(16)23(9-17)33-15(3)29/h6-11,20H,12H2,1-5H3/t20-/m0/s1
InChIKey AHYOPZGTDNXHAE-FQEVSTJZSA-N
Molecular Weight 480.469 g/mol
SMILES c12C(C[C@](Oc2cc(cc1OC(=O)C)OC(=O)C)(c1cc(OC(=O)C)c2c(c1)C=CC(C)(C)O2)[H])=O
SPLASH splash10-00ea-9201400000-01025aa3357f49ec7bce
Source of Spectrum KC-1986-36-11
Wiley ID 1395187