Summary

Molecular formula: C30H44O7
SMILES: O=C1O[C@]2(CC1C)C[C@H]([C@@]1(O2)C[C@@H]([C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)C
InChI: InChI=1S/C30H44O7/c1-15-11-29(36-24(15)35)12-16(2)30(37-29)14-21(34)28(7)23-17(31)10-19-25(3,4)20(33)8-9-26(19,5)22(23)18(32)13-27(28,30)6/h15-17,19-21,31,33-34H,8-14H2,1-7H3/t15?,16-,17+,19+,20+,21+,26+,27+,28+,29+,30+/m1/s1
InChIKey: KYHKPCGXLKZMBU-YZYPORCTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCC3(CCC4C5=C(C(=O)CC43)C3CCCCC3CC5)O2)O1

Scaffold Graph/Node level:
OC1CCC2(CCC3(CCC4C5CCC6CCCCC6C5C(O)CC43)O2)O1

Scaffold Graph level:
CC1CCC2(CCC3(CCC4C5CCC6CCCCC6C5C(C)CC43)C2)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroid lactones

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Synonymous chemical names:
ganotropic acid

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External chemical identifiers:
CID_139583746; NPATLAS_NPA002328; CHEMSPIDER_78440778

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Chemical structure download