Summary

Molecular formula: C21H30O4
SMILES: OCC(C1=C2C3=CC=C(C[C@@H]([C@]3(C)CC[C@]2(CC1)CO)OC)C=O)C
InChI: InChI=1S/C21H30O4/c1-14(11-22)16-6-7-21(13-24)9-8-20(2)17(19(16)21)5-4-15(12-23)10-18(20)25-3/h4-5,12,14,18,22,24H,6-11,13H2,1-3H3/t14?,18-,20+,21+/m0/s1
InChIKey: YNWVJYUTUMCIQZ-ISGZNDKYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2CCC3CCC=C3C2=C1

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:
scabronine j

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External chemical identifiers:
CID_24828243; NPATLAS_NPA012652; CHEMSPIDER_28285089

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Chemical structure download