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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 of CHEBULINIC ACID

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HVC8VQJ6EK
Record Status Validated (UNII)
Record Version