CHEBULAGIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C41H30O27
Molecular Weight	954.6607
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)OC3[C@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C6=C(O)C(O)=C(O)C=C6C(=O)O[C@@H]3[C@@H](OC(=O)C7=CC(O)=C(O)C(OC1=O)=C27)[C@H](OC(=O)C8=CC(O)=C(O)C(O)=C8)O4

InChI

InChIKey=HGJXAVROWQLCTP-VMXBZOPGSA-N

InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31?,33-,34+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H30O27
Molecular Weight	954.6607
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:29:57 GMT 2025` Edited by `admin` on `Wed Apr 02 13:29:57 GMT 2025`
Record UNII	JW8L3F5IW9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-342674

Preferred Name

English

CHEBULAGIC ACID

Common Name

English

CHEBULAGIC ACID [USP-RS]

Common Name

English

Code System Code Type Description

PUBCHEM

72285