Products 111466-30-9

CAS 111466-30-9 is the registry number for Procyanidin A5'. Offered by: MedChemExpress. Available pack sizes: Get quote.

Procyanidin A5'
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Proanthocyanidin A5' is a flavonoid oligomer.

Source: ChEBI

Identity
Molecular formulaC30H24O12
Molecular weight576.5 g/mol
IUPAC name(1S,5R,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
InChIKeyNSEWTSAADLNHNH-JXCVSLFXSA-N
SMILESC1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4[C@@H]([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O

Computed by PubChem (NCBI)

Synonyms: Proanthocyanidin A5', Procyanidin A5', orb1943367, (+)-Epicatechin-(2a-7)(4a-8)-epicatechin, Ent-Epicatechin-(2a->7,4a->8)-epicatechin
Related forms of this compound
(1R,5R,6R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol C30H24O12
5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol C30H24O12
(1R,5R,6S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol C30H24O12
Isomers (same molecular formula)
3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone C30H24O12
dimethyl (1S,12S,14S,15R,27R)-8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate C30H24O12
(3,6,7,10,11-pentaacetyloxytriphenylen-2-yl) acetate C30H24O12

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