Brachynoside heptaacetate

Inquiry
For Research Use Only.
Category
Phenols
Cat.No.
NP4749
CAS
144765-80-0
Product Name
Brachynoside heptaacetate
Structure
Structure

Product Details

Description
Brachynoside heptaacetate isolated from the herbs of Clerodendrum japonicum.
Synonyms
2-(3,4-Dimethoxyphenyl)ethyl 2,6-di-O-acetyl-4-O-[(2E)-3-(3,4-dia cetoxyphenyl)-2-propenoyl]-3-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-ma nnopyranosyl)-β-D-glucopyranoside
IUPAC Name
[(2R,3R,4S,5R,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
Molecular Weight
946.9
Molecular Formula
C45H54O22
Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)OC)OC)COC(=O)C)OC(=O)C=CC4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C45H54O22/c1-22-38(61-26(5)49)40(62-27(6)50)43(64-29(8)52)45(58-22)67-41-39(66-37(53)16-13-30-12-15-33(59-24(3)47)35(20-30)60-25(4)48)36(21-57-23(2)46)65-44(42(41)63-28(7)51)56-18-17-31-11-14-32(54-9)34(19-31)55-10/h11-16,19-20,22,36,38-45H,17-18,21H2,1-10H3/b16-13+/t22-,36+,38-,39+,40+,41-,42+,43+,44+,45-/m0/s1
InChIKey
MSJUZWZZISHWKL-INWJFIRYSA-N
Purity
> 95%
Appearance
Powder
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