Summary

Molecular formula: C30H50O3
SMILES: O[C@@H](C(=C)C)C[C@H]([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)O
InChI: InChI=1S/C30H50O3/c1-18(2)23(31)17-24(32)19(3)20-11-15-30(8)22-9-10-25-27(4,5)26(33)13-14-28(25,6)21(22)12-16-29(20,30)7/h19-20,23-26,31-33H,1,9-17H2,2-8H3/t19-,20+,23+,24+,25-,26-,28+,29+,30-/m0/s1
InChIKey: HPSNYACQJUVHEL-BLKIGZGFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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 d

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External chemical identifiers:
CID_102424674; NPATLAS_NPA011556; CHEMSPIDER_78437640; ZINC_ZINC000255218190

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Chemical structure download