(Q82918018)

English

5,13-Dimethoxy-12-methyl-2,8-diphenyl-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-11,15-diol

chemical compound

In more languages

Statements

type of chemical entity

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(4->8)-proanthocyanidin

1 reference

based on heuristic

inferred from SMILES

538.1991532999999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1R,5S,13S,21R)-9,19-dimethoxy-18-methyl-5,13-diphenyl-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15(20),16,18-hexaene-17,21-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₀O₇

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canonical SMILES

COc1cc2c(c3c1CCC(c1ccccc1)O3)C1c3c(cc(O)c(C)c3OC)OC(c3ccccc3)(O2)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C2=C(C=C1O)O[C@]3([C@@H]([C@H]2C4=C5C(=C(C=C4O3)OC)CC[C@H](O5)C6=CC=CC=C6)O)C7=CC=CC=C7)OC

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Identifiers

InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29+,32+,33+/m0/s1

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VVMNOJJSVJYOFS-IEPJYCOBSA-N

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CAS Registry Number

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1 reference

matched by identifier from

VVMNOJJSVJYOFS-IEPJYCOBSA-N

UniChem compound ID

1 reference

DSSTox substance ID

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matched by identifier from

VVMNOJJSVJYOFS-IEPJYCOBSA-N

DSSTOX compound identifier

DTXCID801369675

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