Summary

Molecular formula: C31H50O3
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)CC[C@H](C2(C)C)O)C)C
InChI: InChI=1S/C31H50O3/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/h9,20-21,24-27,32H,10-18H2,1-8H3/t20-,21+,24-,25-,26+,27-,29+,30+,31-/m0/s1
InChIKey: DUCQVEBTYJTSOK-KDFMDVDSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC(CC2CCC3C4=C(CCC23)C2CCCCC2CC4)OC1

Scaffold Graph/Node level:
C1CCC(CC2CCC3C2CCC2C4CCCCC4CCC23)OC1

Scaffold Graph level:
C1CCC(CC2CCC3C2CCC2C4CCCCC4CCC23)CC1

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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 j

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External chemical identifiers:
CID_139587446; NPATLAS_NPA015632; CHEMSPIDER_78438152

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Chemical structure download