Home > Product Catalog > All > Benzoic acid,3,4,5-trihydroxy-, 5-carboxy-4-cyclohexene-1,2,3-triyl ester, [1R-(1a,2b,3b)]- (9CI)

Benzoic acid,3,4,5-trihydroxy-, 5-carboxy-4-cyclohexene-1,2,3-triyl ester, [1R-(1a,2b,3b)]- (9CI)

Catalog No. : NC22705

CAS No. : 129159-07-5

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Molecular Formula : C₂₈H₂₂O₁₇

Chemical Name : Benzoic acid,3,4,5-trihydroxy-, 5-carboxy-4-cyclohexene-1,2,3-triyl ester, [1R-(1a,2b,3b)]- (9CI)

Molecular Weight : 630.46

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Basic information

Standard English name
Cas No.	129159-07-5
Alias	Benzoic acid,3,4,5-trihydroxy-, 5-carboxy-4-cyclohexene-1,2,3-triyl ester, [1R-(1a,2b,3b)]- (9CI)
Canonical Smiles	OC(=O)C1CC(OC(=O)C2C=C(O)C(O)=C(O)C=2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1
MDL No.
Exact Mass	630.08571
Smiles	O=C(O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1

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Inchi	InChI=1S/C28H22O17/c29-13-1-10(2-14(30)21(13)35)26(40)43-19-7-9(25(38)39)8-20(44-27(41)11-3-15(31)22(36)16(32)4-11)24(19)45-28(42)12-5-17(33)23(37)18(34)6-12/h1-7,19-20,24,29-37H,8H2,(H,38,39)
InchiKey	KRGJABLVIDOYEE-UHFFFAOYSA-N
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