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CHEBI:182938 - 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-Hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol
| Formula | C37H47NO5 |
| Net Charge | 0 |
| Average Mass | 585.785 |
| Monoisotopic Mass | 585.34542 |
| SMILES | [H][C@@]12CC[C@@]3(O)C4=C[C@@H](O)[C@@H](C(=C)C)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3cc4c(cc3c1C2)[C@@H](O)[C@@]1([H])C4=CC(C)(C)OC1(C)C |
| InChI | InChI=1S/C37H47NO5/c1-18(2)31-27(39)16-25-28(42-31)10-11-35(7)36(8)19(9-12-37(25,35)41)13-23-21-14-22-20(15-26(21)38-32(23)36)24-17-33(3,4)43-34(5,6)29(24)30(22)40/h14-17,19,27-31,38-41H,1,9-13H2,2-8H3/t19-,27+,28-,29+,30+,31+,35+,36+,37+/m0/s1 |
| InChIKey | FYYNBFCZCKFSKS-QSDHUPEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-Hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol (CHEBI:182938) is a organic heterotricyclic compound (CHEBI:26979) |
| 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-Hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)pyrano(4',3':3,4)cyclopent(1,2-f)indole-3,4b,9-triol (CHEBI:182938) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (2S,3R,6S,8R,9R,12S,15S,21S,22R)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12,21-triol |
| Registry Numbers | Sources |
|---|---|
| CAS:73561-90-7 | ChemIDplus |