Summary

Molecular formula: C30H37NO6
SMILES: CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@H](C/C=C/[C@@H]2[C@]31C(=O)N[C@H]([C@@H]3[C@H](C)C(=C)[C@H]2O)Cc1ccccc1)C
InChI: InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1
InChIKey: SDZRWUKZFQQKKV-JHADDHBZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2C=CCCC(=O)CC=CCC23C(=O)NC(Cc2ccccc2)C3C1

Scaffold Graph/Node level:
CC1CC2CCCCC(O)CCCCC23C(O)NC(CC2CCCCC2)C3C1

Scaffold Graph level:
CC1CCCCC2CC(C)CC3C(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:
cytochalasin d

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External chemical identifiers:
CID_5458428; CAS_22144-77-0; CHEMSPIDER_4572382; ZINC_ZINC000100058047; Molport_MolPort-003-929-647

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Chemical structure download