Summary

Molecular formula: C30H50O3
SMILES: O[C@@H]1[C@H](CC[C@H]1C(O)(C)C)[C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C
InChI: InChI=1S/C30H50O3/c1-26(2)23-11-10-21-20(28(23,5)15-14-24(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-9-22(25(18)32)27(3,4)33/h18-19,22-25,31-33H,8-17H2,1-7H3/t18-,19-,22-,23+,24+,25-,28-,29-,30+/m1/s1
InChIKey: GYYKDEKKJBJCPY-WJBNMFORSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCC(C2CCCC2)C1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C(C3CCCC3)CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C(C3CCCC3)CCC21

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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:
inonotsutriol b

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External chemical identifiers:
CID_102520589; NPATLAS_NPA001725; CHEMSPIDER_78436445; ZINC_ZINC000255214373

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Chemical structure download