PhytoHub: Showing entry for Ampelopsin C

Ampelopsin C

Identification

PhytoHub ID

PHUB001565

Name

Ampelopsin C

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

680.709

Monoisotopic Mass

680.20463261

Chemical Formula

C₄₂H₃₂O₉

IUPAC Name

(1R,2S,3S,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0^{4,18}.0^{7,19}.0^{11,16}]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

InChI Key

QDEHKEFWCRAFDN-WTEBWGKASA-N

InChI Identifier

InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42+/m1/s1

SMILES

[H][C@]1(OC2=C3C4=C(C(O)=C2)[C@]([H])(C2=CC=C(O)C=C2)[C@@]([H])(C2=CC(O)=CC(O)=C2)[C@]4([H])[C@]([H])(C2=CC=C(O)C=C2)C2=C(C=C(O)C=C2O)[C@@]13[H])C1=CC=C(O)C=C1

Structure