EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:217307 - 24-methylenelanost-8-ene-3beta,22-diol
| Formula | C31H52O2 |
| Net Charge | 0 |
| Average Mass | 456.755 |
| Monoisotopic Mass | 456.39673 |
| SMILES | C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C31H52O2/c1-19(2)20(3)18-25(32)21(4)22-12-16-31(9)24-10-11-26-28(5,6)27(33)14-15-29(26,7)23(24)13-17-30(22,31)8/h19,21-22,25-27,32-33H,3,10-18H2,1-2,4-9H3/t21-,22+,25+,26-,27-,29+,30+,31-/m0/s1 |
| InChIKey | MUAAHBHDDFOPCS-RYDGGTMASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pisolithus tinctorius (ncbitaxon:37468) | - | DOI (10.1016/s0031-9422(97)00007-1) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 24-methylenelanost-8-ene-3beta,22-diol (CHEBI:217307) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 78438657 | ChemSpider |