CINNAMTANNIN B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H36O18
Molecular Weight	864.7565
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(O)[C@@H]2C3=C(O)C=C(O)C=C3O[C@]1(OC4=C2C5=C([C@@H]([C@@H](O)[C@H](O5)C6=CC(O)=C(O)C=C6)C7=C8O[C@@H]([C@H](O)CC8=C(O)C=C7O)C9=CC(O)=C(O)C=C9)C(O)=C4)C%10=CC(O)=C(O)C=C%10

InChI

InChIKey=BYSRPHRKESMCPO-WIYGYKBVSA-N

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38?,39-,40-,41-,44-,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H36O18
Molecular Weight	864.7565
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:23:23 UTC 2023` Edited by `admin` on `Sat Dec 16 11:23:23 UTC 2023`
Record UNII	H1059K9GIN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINNAMTANNIN B1

Common Name

English

(-)-EPICATECHIN-(4.BETA.->8, 2.BETA.-O->7)-EPICATECHIN-(4.BETA.->8)-EPICATECHIN)

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)-4-((2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-8-YL)-3,4-DIHYDRO-, (2R,3R,4S,8S,14R,15R)-

Systematic Name

English

CINNAMTANNIN B1 (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]

Common Name

English

CINNAMTANNIN B1 (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]

Common Name

English

(-)-EPICATECHIN-(4BETA-8, 2BETA-OMICRON-7)-EPICATECHIN-(4BETA-8)-EPICATECHIN)

Common Name

English

LDN 0022358

Code

English

LDN-0022358

Code

English

Code System Code Type Description

PUBCHEM

475277