Summary

IMPPAT Phytochemical identifier: IMPHY008856

Phytochemical name: beta-Eudesmol acetate

Synonymous chemical names:
eudesmolacctate beta-, β-eudesmol acetate

External chemical identifiers:
CID:10491888

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Chemical structure information

SMILES:
CC(=O)OC([C@@H]1CC[C@@]2([C@@H](C1)C(=C)CCC2)C)(C)C

InChI:
InChI=1S/C17H28O2/c1-12-7-6-9-17(5)10-8-14(11-15(12)17)16(3,4)19-13(2)18/h14-15H,1,6-11H2,2-5H3/t14-,15+,17-/m1/s1

InChIKey:
UIMWPYYYFGCEJP-HLLBOEOZSA-N

DeepSMILES:
CC=O)OC[C@@H]CC[C@@][C@@H]C6)C=C)CCC6)))))C)))))C)C

Functional groups:
C=C(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.417

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Chemical structure download