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CHEBI:77046 - isopimarane

ChEBI IDCHEBI:77046
ChEBI Nameisopimarane
Stars
DefinitionA carbotricyclic compound that is tetradecahydrophenanthrenewhich is substituted by an ethyl group at position 7 and by methyl groups at positions 1, 1, 4a, and 7 (the 4aR,4bS,7S,8aS,10aS isomer).
Last Modified16 November 2018
Submitternamrata
DownloadsMolfile
FormulaC20H36
Net Charge0
Average Mass276.508
Monoisotopic Mass276.28170
SMILES[H][C@@]12CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@](C)(CC)C2
InChIInChI=1S/C20H36/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h15-17H,6-14H2,1-5H3/t15-,16-,17-,19-,20+/m0/s1
InChIKeyGZHFBZCDMVGRTI-VDWQKOAOSA-N
ChEBI Ontology
Outgoing Relation(s)
isopimarane (CHEBI:77046) is a carbotricyclic compound (CHEBI:38032)
isopimarane (CHEBI:77046) is a diterpene (CHEBI:35190)
isopimarane (CHEBI:77046) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
syn-isopimara-7,15-diene (CHEBI:145566) has parent hydride isopimarane (CHEBI:77046)
16-hydroxyisopimar-7-en-19-oic acid (CHEBI:68086) has parent hydride isopimarane (CHEBI:77046)
16-α-D-mannopyranosyloxyisopimar-7-en-19-oic acid (CHEBI:68085) has parent hydride isopimarane (CHEBI:77046)
isopimara-7,15-diene (CHEBI:52280) has parent hydride isopimarane (CHEBI:77046)
isopimara-8(14),15-diene (CHEBI:63708) has parent hydride isopimarane (CHEBI:77046)
isopimarane diterpenoid (CHEBI:138429) has parent hydride isopimarane (CHEBI:77046)
IUPAC Name 
(13α)-pimarane