Summary

Molecular formula: C30H52O3
SMILES: C[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)CC[C@H](C(O)(C)C)O
InChI: InChI=1S/C30H52O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25,31-33H,9-18H2,1-8H3/t19-,20-,23+,24+,25-,28-,29-,30+/m1/s1
InChIKey: JFEXJRXYTKYHOD-IFNSRKHFSA-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:
inoterpene b

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External chemical identifiers:
CID_101855772; NPATLAS_NPA010184; CHEMSPIDER_78437469; ZINC_ZINC000255220927

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Chemical structure download