Summary

Molecular formula: C46H76O2
SMILES: CCCCC/C=CC/C=CCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC=C1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=C)C(C)C)C)C)C
InChI: InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,27,35,37-39,41-43H,4,8-11,14,17-26,28-34H2,1-3,5-7H3/b13-12-,16-15-/t37-,38+,39+,41-,42+,43+,45+,46-/m1/s1
InChIKey: CGPXQZWXSOOFBC-OQAFIIOUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC3CCC2C2CCCCC2C1

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: Steroids and steroid derivatives
Sub class: Steroid esters

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Synonymous chemical names:
3beta-linoleyloxyergosta-7,24(28)-diene

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External chemical identifiers:
CID_139584963; NPATLAS_NPA006569; CHEMSPIDER_78442574; ZINC_ZINC000255202031

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Chemical structure download