Summary

Molecular formula: C28H35NO5
SMILES: CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]32[C@H]([C@@H]1O)/C=C/C[C@H](C)C(=O)[C@](/C=C/[C@H]3O)(C)O
InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16,20-24,30-31,34H,9,15H2,1-4H3,(H,29,33)/b12-8+,14-13+/t16-,20-,21-,22+,23-,24+,27+,28+/m0/s1
InChIKey: AOIKFORBJLUJGZ-NIOUNHJPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC=CCC23C(=O)NC(Cc4ccccc4)C2C=CCC3C=CCC1

Scaffold Graph/Node level:
OC1CCCCC2CCCC3C(CC4CCCCC4)NC(O)C23CCCC1

Scaffold Graph level:
CC1CCCCC2CCCC3C(CC4CCCCC4)CC(C)C23CCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Alkaloids and derivatives
Class: Cytochalasans

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Synonymous chemical names:
deacetylcytochalasin c

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External chemical identifiers:
CID_21668730; NPATLAS_NPA016488; CHEMSPIDER_58134688; ZINC_ZINC000101699431

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Chemical structure download