CINNAMTANNIN B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H48O24
Molecular Weight	1153.0087
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
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([C@@H]4[C@@H](O)[C@H](OC5=CC(O)=CC(O)=C45)C6=CC(O)=C(O)C=C6)=C3O[C@]1(OC7=C2C8=C([C@@H]([C@@H](O)[C@H](O8)C9=CC(O)=C(O)C=C9)C%10=C%11O[C@@H]([C@H](O)CC%11=C(O)C=C%10O)C%12=CC(O)=C(O)C=C%12)C(O)=C7)C%13=CC(O)=C(O)C=C%13

InChI

InChIKey=QRQAODSINXAOBF-UKTWWWBFSA-N

InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C60H48O24
Molecular Weight	1153.0087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:23:24 UTC 2023` Edited by `admin` on `Sat Dec 16 11:23:24 UTC 2023`
Record UNII	99DGE65202
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINNAMTANNIN B2

Common Name

English

CINNAMTANNIN B2 (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]

Common Name

English

CINNAMTANNIN B2 (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]

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)-10-((2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-4-YL)-4-((2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-3,5,7-TR

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID401316981

Created by admin on Sat Dec 16 11:23:24 UTC 2023 , Edited by admin on Sat Dec 16 11:23:24 UTC 2023

PRIMARY

PUBCHEM

16130973

Created by admin on Sat Dec 16 11:23:24 UTC 2023 , Edited by admin on Sat Dec 16 11:23:24 UTC 2023

PRIMARY

CAS

88038-12-4

Created by admin on Sat Dec 16 11:23:24 UTC 2023 , Edited by admin on Sat Dec 16 11:23:24 UTC 2023

PRIMARY

FDA UNII

99DGE65202

Created by admin on Sat Dec 16 11:23:24 UTC 2023 , Edited by admin on Sat Dec 16 11:23:24 UTC 2023

PRIMARY

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