CHEBI:36485 - lupane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lupane
ChEBI ID CHEBI:36485
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C30H52
Net Charge 0
Average Mass 412.73388
Monoisotopic Mass 412.407
InChI InChI=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
InChIKey NKMDIWKRKQFYPH-VIUFNMEASA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)C)[C@]21[H]
ChEBI Ontology
Outgoing lupane (CHEBI:36485) is a terpenoid fundamental parent (CHEBI:35662)
lupane (CHEBI:36485) is a triterpene (CHEBI:35191)
Incoming (20R)-28-hydroxylupen-30-al-3-one (CHEBI:66045) has parent hydride lupane (CHEBI:36485)
2α,3β,23-trihydroxylup-20(29)-en-28-oic acid (CHEBI:67916) 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)
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)
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 Numbers Types Sources
2562721 Beilstein Registry Number Beilstein
464-99-3 CAS Registry Number ChemIDplus
Last Modified
20 January 2014