Summary

Molecular formula: C23H34O5
SMILES: CC[C@@H](C(=O)O[C@H]1CCC=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C
InChI: InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
InChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC(CCC2CC=CC3=CCCCC32)O1

Scaffold Graph/Node level:
OC1CCCC(CCC2CCCC3CCCCC32)O1

Scaffold Graph level:
CC1CCCC(CCC2CCCC3CCCCC32)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Lactones
Sub class: Delta valerolactones

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Synonymous chemical names:
compactin

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External chemical identifiers:
CID_64715; CAS_73573-88-3; NPATLAS_NPA018102; CHEMSPIDER_58262; ZINC_ZINC000003833876; Molport_MolPort-003-849-214

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Chemical structure download