Summary

Molecular formula: C31H48O3
SMILES: CO[C@H]1O[C@@H](CC=C1C)[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C
InChI: InChI=1S/C31H48O3/c1-19-9-11-24(34-27(19)33-8)20(2)21-13-17-31(7)23-10-12-25-28(3,4)26(32)15-16-29(25,5)22(23)14-18-30(21,31)6/h9,20-21,24-25,27H,10-18H2,1-8H3/t20-,21+,24-,25-,27-,29+,30+,31-/m0/s1
InChIKey: HJTGQORBOJNTSC-CNYNGXNLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCC(CC2CC=CCO2)C1CC3

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2CCC2C(CC4CCCCO4)CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2CCC2C(CC4CCCCC4)CCC23)C1

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Chemical classification

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

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Synonymous chemical names:
astraeusin i

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External chemical identifiers:
CID_139588166; NPATLAS_NPA018200; CHEMSPIDER_78438452

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Chemical structure download