PROCYANIDIN A1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H24O12
Molecular Weight	576.5044
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1CC2=C(O)C=C3O[C@@]4(OC5=CC(O)=CC(O)=C5[C@@H]([C@H]4O)C3=C2O[C@@H]1C6=CC=C(O)C(O)=C6)C7=CC=C(O)C(O)=C7

InChI

InChIKey=NSEWTSAADLNHNH-TXZJYACMSA-N

InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H24O12
Molecular Weight	576.5044
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:15:11 GMT 2025` Edited by `admin` on `Wed Apr 02 09:15:11 GMT 2025`
Record UNII	LX492GRN5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROCYANIDIN A1

Common Name

English

(+)-PROANTHOCYANIDIN A1

Preferred Name

English

(2R,3S,8S,14R,15R)-2,8-BIS(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-8,14-METHANO-2H,14H-1-BENZOPYRANO(7,8-D)(1,3)BENZODIOXOCIN-3,5,11,13,15-PENTOL

Systematic Name

English

8,14-METHANO-2H,14H-1-BENZOPYRANO(7,8-D)(1,3)BENZODIOXOCIN-3,5,11,13,15-PENTOL, 2,8-BIS(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2R,3S,8S,14R,15R)-

Systematic Name

English

PROANTHOCYANIDIN A1

Common Name

English

8,14-METHANO-2H,14H-1-BENZOPYRANO(7,8-D)(1,3)BENZODIOXOCIN-3,5,11,13,15-PENTOL, 2,8-BIS(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2R-(2.ALPHA.,3.BETA.,8.BETA.,14.BETA.,15R*))-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Procyanidin A1