Summary

Molecular formula: C32H42O7
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)C=C2[C@@H](CC1)C(C)(C)OC(=O)C=C2)C)[C@@H]([C@@H]1OC(=O)C(=C[C@H]1O)C)C
InChI: InChI=1S/C32H42O7/c1-17-14-25(34)28(38-29(17)36)18(2)24-16-26(37-19(3)33)32(7)23-10-9-22-20(8-11-27(35)39-30(22,4)5)15-21(23)12-13-31(24,32)6/h8,11,14-15,18,22,24-26,28,34H,9-10,12-13,16H2,1-7H3/t18-,22+,24+,25+,26+,28-,31+,32+/m0/s1
InChIKey: XNFBOJFRJTXMJL-OZXCYFAESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=CC3=C(CCC2CO1)C1CCC(CC2CC=CC(=O)O2)C1CC3

Scaffold Graph/Node level:
OC1CCC2CC3CCC4C(CC5CCCC(O)O5)CCC4C3CCC2CO1

Scaffold Graph level:
CC1CCC2CCC3C(CCC4C(CC5CCCC(C)C5)CCC43)CC2CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Tricarboxylic acids and derivatives

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Synonymous chemical names:
colossolactone viii

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External chemical identifiers:
CID_24898686; NPATLAS_NPA012606; CHEMSPIDER_23328583; ZINC_ZINC000042835394

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Chemical structure download