Terminology Service for NFDI4Health
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(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-7-formamido-20-isocyanoisocycloamphilectane

Go to external page http://purl.obolibrary.org/obo/CHEBI_65905

A tetracyclic diterpenoid that is hexadecahydropyrene substituted by isocyano group at position 8, methyl groups at positions 1, 4, 7 and 8 and a formamido group at position 1. Isolated from the tropical marine sponge Cymbastela hooperi, it exhibits antiplasmodial activity.

Term info

Label

(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-7-formamido-20-isocyanoisocycloamphilectane

Synonyms
  • N-[(1S,3aR,4S,5aS,7R,8R,8aS,10aS,10bS,10cS)-8-isocyano-1,4,7,8-tetramethylhexadecahydropyren-1-yl]formamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(1S,3aR,4S,5aS,7R,8R,8aS,10aS,10bS,10cS)-8-isocyano-1,4,7,8-tetramethylhexadecahydropyren-1-yl]formamide [ IUPAC ]

charge

0

formula

C22H34N2O

has obo namespace

chebi_ontology

id

CHEBI:65905

inchi

InChI=1S/C22H34N2O/c1-13-10-15-11-14(2)22(4,23-5)18-7-6-17-20(19(15)18)16(13)8-9-21(17,3)24-12-25/h12-20H,6-11H2,1-4H3,(H,24,25)/t13-,14+,15-,16+,17-,18-,19+,20+,21-,22+/m0/s1

inchikey

XBSPNOJIQRUQDQ-OXEUSEQRSA-N

mass

342.51820

monoisotopicmass

342.26711

smiles

[H][C@@]12C[C@H](C)[C@@]3([H])CC[C@](C)(NC=O)[C@@]4([H])CC[C@@]([H])([C@]1([H])[C@]34[H])[C@](C)([N+]#[C-])[C@H](C)C2