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

[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]6COC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(C=C(O)C(O)=C8O)C(=O)O[C@H]4C6OC(=O)[C@@]2([H])CC(O)=O

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 `Sat Dec 16 19:04:11 UTC 2023` Edited by `admin` on `Sat Dec 16 19:04:11 UTC 2023`
Record UNII	JW8L3F5IW9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHEBULAGIC ACID

Common Name

English

NSC-342674

Code

English

CHEBULAGIC ACID [USP-RS]

Common Name

English

Code System Code Type Description

PUBCHEM

72285