Summary

Molecular formula: C20H30O3
SMILES: OC[C@@]1(C)CCC[C@]2([C@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C
InChI: InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m0/s1
InChIKey: WKKBRRFSRMDTJB-RAUXBKROSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1CCC1=CCOC1=O

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1CCC1CCOC1O

Scaffold Graph level:
CC1CCCC1CCC1C(C)CCC2CCCCC21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Terpene lactones

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Synonymous chemical names:
19-hydroxylabda-8(17),13-dien-16,15-olid, 19-hydroxylabda-8(17),13-dien-16,15-olide

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External chemical identifiers:
CID_23238929; NPATLAS_NPA012676; CHEMSPIDER_10334581; ZINC_ZINC000013780188

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Chemical structure download