EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:36485 - lupane
| Formula | C30H52 |
| Net Charge | 0 |
| Average Mass | 412.746 |
| Monoisotopic Mass | 412.40690 |
| 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 |
| 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 |
| 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 Numbers | Sources |
|---|---|
| Beilstein:2562721 | Beilstein |
| CAS:464-99-3 | ChemIDplus |