Summary

Molecular formula: C31H50O3
SMILES: CO[C@@H]1O[C@@H](CC[C@H]1C)[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/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/h19-21,24-25,27H,9-18H2,1-8H3/t19-,20+,21-,24+,25+,27-,29-,30-,31+/m1/s1
InChIKey: PHLQZUYHOWPYNU-YVFRMSICSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCC(CC2CCCCO2)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:
astrasiaone

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External chemical identifiers:
CID_132556695; CHEMSPIDER_78442010

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Chemical structure download