Summary

Molecular formula: C46H54O11
SMILES: COCC1=C(O)C(=O)[C@H]2[C@]1(C)[C@@H]1C[C@@](C[C@@H]1C2)(C)C(=O)OC1=C2C[C@@H]3[C@H]([C@@]2(C(=C)C1=O)C)C[C@@](C3)(C)C(=O)OC1=C2C[C@@H]3[C@H]([C@@]2(C(=C)C1=O)C)C[C@@](C3)(C)C(=O)O
InChI: InChI=1S/C46H54O11/c1-20-32(47)36(26-11-23-13-41(3,38(51)52)16-28(23)44(20,26)6)56-39(53)42(4)15-24-12-27-37(33(48)21(2)45(27,7)29(24)17-42)57-40(54)43(5)14-22-10-25-34(49)35(50)31(19-55-9)46(25,8)30(22)18-43/h22-25,28-30,50H,1-2,10-19H2,3-9H3,(H,51,52)/t22-,23-,24-,25-,28+,29+,30+,41-,42-,43-,44+,45+,46+/m0/s1
InChIKey: GYUZZLDDLNZFON-TYXOBLAXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)C(OC(=O)C2CC3CC4=C(OC(=O)C5CC6CC7C(=O)C=CC7C6C5)C(=O)C(=C)C4C3C2)=C2CC3CCCC3C12

Scaffold Graph/Node level:
CC1C(O)C(OC(O)C2CC3CC4C(OC(O)C5CC6CC7C(O)CCC7C6C5)C(O)C(C)C4C3C2)C2CC3CCCC3C12

Scaffold Graph level:
CC(CC1C(C)C(C)C2C3CC(C(C)CC4C(C)C(C)C5C6CCCC6CC45)CC3CC12)C1CC2CC3C(C)CCC3C2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
sterhirsutin h

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External chemical identifiers:
CID_122377004; NPATLAS_NPA018626; CHEMSPIDER_78443709

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Chemical structure download