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CHEBI:36485 - lupane

ChEBI IDCHEBI:36485
ChEBI Namelupane
Stars
Last Modified20 January 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC30H52
Net Charge0
Average Mass412.746
Monoisotopic Mass412.40690
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CC[C@@H](C(C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKeyNKMDIWKRKQFYPH-VIUFNMEASA-N
ChEBI Ontology
Outgoing Relation(s)
lupane (CHEBI:36485) is a terpenoid fundamental parent (CHEBI:35662)
lupane (CHEBI:36485) is a triterpene (CHEBI:35191)
Incoming Relation(s)
(20R)-28-hydroxylupen-30-al-3-one (CHEBI:66045) has parent hydride lupane (CHEBI:36485)
2-O-E-p-coumaroyl alphitolic acid (CHEBI:65662) has parent hydride lupane (CHEBI:36485)
20(29)-lupene-1β,3α-diol (CHEBI:67598) has parent hydride lupane (CHEBI:36485)
20(29)-lupene-1β,3β-diol (CHEBI:67599) has parent hydride lupane (CHEBI:36485)
23-Hydroxybetulinic acid (CHEBI:69580) has parent hydride lupane (CHEBI:36485)
2α,3β-dihydroxy-20(29)-lupen-28-oic acid (CHEBI:67600) has parent hydride lupane (CHEBI:36485)
2α,3β-dihydroxylup-20(29)-ene (CHEBI:67954) has parent hydride lupane (CHEBI:36485)
2α,3β,23-trihydroxylup-20(29)-en-28-oic acid (CHEBI:67916) has parent hydride lupane (CHEBI:36485)
3-(Z)-caffeoyllupeol (CHEBI:65549) has parent hydride lupane (CHEBI:36485)
3beta-O-cis-caffeoylbetulinic acid (CHEBI:70670) has parent hydride lupane (CHEBI:36485)
3beta-O-trans-caffeoylbetulinic acid (CHEBI:70671) has parent hydride lupane (CHEBI:36485)
betulin (CHEBI:3086) has parent hydride lupane (CHEBI:36485)
betulinic acid (CHEBI:3087) has parent hydride lupane (CHEBI:36485)
betulone (CHEBI:67824) has parent hydride lupane (CHEBI:36485)
dihydrobetulinic acid (CHEBI:65485) has parent hydride lupane (CHEBI:36485)
glochidone (CHEBI:67596) has parent hydride lupane (CHEBI:36485)
glochidonol (CHEBI:67597) has parent hydride lupane (CHEBI:36485)
lupenone (CHEBI:67823) has parent hydride lupane (CHEBI:36485)
lupeol (CHEBI:6570) has parent hydride lupane (CHEBI:36485)
IUPAC Name 
lupane
Registry NumbersSources
Beilstein:2562721Beilstein
CAS:464-99-3ChemIDplus