Summary

Molecular formula: C22H36O5
SMILES: OCC(C1=C2[C@H]3C[C@@H](OC)[C@H]4[C@@H]([C@@H]([C@]3(C)CC[C@]2(CC1)C)OC4O)OC)C
InChI: InChI=1S/C22H36O5/c1-12(11-23)13-6-7-21(2)8-9-22(3)14(17(13)21)10-15(25-4)16-18(26-5)19(22)27-20(16)24/h12,14-16,18-20,23-24H,6-11H2,1-5H3/t12?,14-,15-,16+,18+,19+,20?,21-,22-/m1/s1
InChIKey: BRTUEJWZRSMTSY-LBNQWDEXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CC1)CCC1C3CC(CCC21)CO3

Scaffold Graph/Node level:
C1CC2CCC3C4CC(CCC3C2C1)CO4

Scaffold Graph level:
C1CC2CCC3C4CCC(CCC3C2C1)C4

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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 c

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External chemical identifiers:
NPATLAS_NPA001405; CHEMSPIDER_8198260

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Chemical structure download