Summary

Molecular formula: C30H33ClO6
SMILES: O=C1C(=C2[C@](C1=C)(C)[C@H]1[C@@H](C2)C[C@](C1)(C)C(=O)O)OC(=O)[C@@]1(C)C[C@H]2[C@@H](C1)[C@]1(C(=C(C(=O)C1=C)Cl)C2)C
InChI: InChI=1S/C30H33ClO6/c1-13-22(32)21(31)17-7-15-10-28(4,12-20(15)29(13,17)5)26(36)37-24-18-8-16-9-27(3,25(34)35)11-19(16)30(18,6)14(2)23(24)33/h15-16,19-20H,1-2,7-12H2,3-6H3,(H,34,35)/t15-,16-,19+,20+,27-,28-,29+,30+/m0/s1
InChIKey: UTPAWELXXKUSFE-PWOLUNKGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)C=C2CC3CC(C(=O)OC4=C5CC6CCCC6C5C(=C)C4=O)CC3C12

Scaffold Graph/Node level:
CC1C(O)CC2CC3CC(C(O)OC4C(O)C(C)C5C6CCCC6CC45)CC3C21

Scaffold Graph level:
CC(CC1C(C)C(C)C2C3CCCC3CC12)C1CC2CC3CC(C)C(C)C3C2C1

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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 f

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External chemical identifiers:
CID_122377002; NPATLAS_NPA014854; CHEMSPIDER_78443706

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Chemical structure download