Summary

Molecular formula: C30H46O4
SMILES: O=C1O[C@H](CC[C@@H]1[C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C(O)(C)C
InChI: InChI=1S/C30H46O4/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-11-24(27(3,4)33)34-25(18)32/h9,13,18-19,22-24,31,33H,8,10-12,14-17H2,1-7H3/t18-,19-,22?,23+,24-,28-,29-,30+/m1/s1
InChIKey: XQNCFMBNMADTHB-AJIBSGPHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCCC1C1CCC2C3=CCC4CCCCC4C3=CCC21

Scaffold Graph/Node level:
OC1OCCCC1C1CCC2C3CCC4CCCCC4C3CCC12

Scaffold Graph level:
CC1CCCCC1C1CCC2C1CCC1C3CCCCC3CCC12

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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:
inonotsulide b

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External chemical identifiers:
NPATLAS_NPA002902; CHEMSPIDER_78436575

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Chemical structure download