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CHEBI:207318 - (24E)-3beta,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
| Formula | C35H54O7 |
| Net Charge | 0 |
| Average Mass | 586.810 |
| Monoisotopic Mass | 586.38695 |
| SMILES | CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2 |
| InChI | InChI=1S/C35H54O7/c1-20(12-11-13-21(2)31(38)39)25-18-29(42-23(4)37)35(9)30-24(14-17-34(25,35)8)33(7)16-15-28(41-22(3)36)32(5,6)27(33)19-26(30)40-10/h13,20,25-29H,11-12,14-19H2,1-10H3,(H,38,39)/b21-13+/t20-,25-,26-,27+,28+,29+,33-,34-,35+/m1/s1 |
| InChIKey | TXMSDWRHMDOBBH-RZEVXVDLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganodermaspecies (ncbitaxon:1869158) | - | PubMed (28504879) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (24E)-3beta,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid (CHEBI:207318) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,6R)-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78438937 | ChemSpider |