Summary

Molecular formula: C21H32O4
SMILES: OC[C@H](C1=C2[C@H]3CC=C([C@@H]([C@@H]([C@]3(C)CC[C@]2(CC1)C)O)OC)C=O)C
InChI: InChI=1S/C21H32O4/c1-13(11-22)15-7-8-20(2)9-10-21(3)16(17(15)20)6-5-14(12-23)18(25-4)19(21)24/h5,12-13,16,18-19,22,24H,6-11H2,1-4H3/t13-,16-,18+,19+,20-,21-/m1/s1
InChIKey: KIJQNYNQHIZOJO-MEJVKNBMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2C3=CCCC3CCC2CC1

Scaffold Graph/Node level:
C1CCC2CCC3CCCC3C2CC1

Scaffold Graph level:
C1CCC2CCC3CCCC3C2CC1

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Chemical classification

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

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Synonymous chemical names:
neosarcodonin a

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External chemical identifiers:
CID_101153516; NPATLAS_NPA015559; CHEMSPIDER_78438147; ZINC_ZINC000238768593

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Chemical structure download