Summary

IMPPAT Phytochemical identifier: IMPHY006529

Phytochemical name: 24-Methyl-5-alpha-cholesta-8,24(28)-dien-3-beta-ol

Synonymous chemical names:
24-ethylcholesta-5-(z)-24(28)-dien-3-beta-ol

External chemical identifiers:
CID:6428670

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Chemical structure information

SMILES:
O[C@H]1CCC2([C@H](C1)CCC1=C2CCC2(C1CCC2C(CCC(=C)C(C)C)C)C)C

InChI:
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3/t20?,21-,22-,24?,25?,27?,28?/m0/s1

InChIKey:
SLQKYSPHBZMASJ-XFRXUZBSSA-N

DeepSMILES:
O[C@H]CCC[C@H]C6)CCC=C6CCCC6CCC5CCCC=C)CC)C)))))C))))))C)))))))))C

Functional groups:
C=C(C)C, CC(C)=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Ergostane steroids

NP-Likeness score: 3.348

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Chemical structure download