CHEBULINIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H32O27
Molecular Weight	956.6766
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](O)C(=O)OC3=C1C(=CC(O)=C3O)C(=O)O[C@H]4[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)O[C@H](COC(=O)C6=CC(O)=C(O)C(O)=C6)[C@@H](OC(=O)[C@H]2CC(O)=O)[C@@H]4OC(=O)C7=CC(O)=C(O)C(O)=C7

InChI

InChIKey=YGVHOSGNOYKRIH-AVXZFDTDSA-N

InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30+,31+,33-,34+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H32O27
Molecular Weight	956.6766
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 12:54:20 UTC 2023` Edited by `admin` on `Sat Dec 16 12:54:20 UTC 2023`
Record UNII	HVC8VQJ6EK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHEBULINIC ACID

Common Name

English

NSC-69862

Code

English

.BETA.-D-GLUCOPYRANOSE, 1,3,6-TRIS(3,4,5-TRIHYDROXYBENZOATE), CYCLIC 2->2:4->1-ESTER WITH (2S)-((3R,4S)-5-CARBOXY-3,4-DIHYDRO-3,7,8-TRIHYDROXY-2-OXO-2H-1-BENZOPYRAN-4-YL)BUTANEDIOIC ACID

Systematic Name

English

EUTANNIN

Common Name

English

Code System Code Type Description

CAS

18942-26-2