Summary

IMPPAT Phytochemical identifier: IMPHY006494

Phytochemical name: 31-Nor-7-lanosterol acetate

Synonymous chemical names:
31-nor-lanosterol, 31-norlanosterol

External chemical identifiers:
CID:6427330

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Chemical structure information

SMILES:
CCCCC[C@@H](C1CC[C@@]2([C@]1(C)CCC1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)OC(=O)C)C)C

InChI:
InChI=1S/C31H52O2/c1-9-10-11-12-21(2)23-15-19-31(8)25-13-14-26-28(4,5)27(33-22(3)32)17-18-29(26,6)24(25)16-20-30(23,31)7/h13,21,23-24,26-27H,9-12,14-20H2,1-8H3/t21-,23?,24?,26?,27-,29+,30+,31-/m0/s1

InChIKey:
KAQDYZSKYROZFD-FFPCMTLYSA-N

DeepSMILES:
CCCCC[C@@H]CCC[C@@][C@]5C)CCCC6=CCC[C@]6C)CC[C@@H]C6C)C))OC=O)C)))))))))))))))C)))))C

Functional groups:
CC(=O)OC, CC=C(C)C

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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

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.141

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Chemical structure download