Stachybocin B (CHEM114771)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 02:26:17 UTC | ||||||||
| Update Date | 2026-05-21 02:15:15 UTC | ||||||||
| Accession Number | CHEM114771 | ||||||||
| Identification | |||||||||
| Common Name | Stachybocin B | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C52H70N2O11 | ||||||||
| Average Molecular Mass | 899.135 g/mol | ||||||||
| Monoisotopic Mass | 898.498 g/mol | ||||||||
| CAS Registry Number | 158827-61-3 | ||||||||
| IUPAC Name | 6-(4,6'-Dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl)-2-(4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-oxo- 3',4',4'a,5',6,6',7',8,8',8'a-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7(3H)-yl)hexanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1CCC2C(C)(C)C(O)CCC2(C)C11CC2=C(O1)C1=C(C=C2O)C(=O)N(CCCCC(N2CC3=C(C=C(O)C4=C3OC3(C4)C(C)CCC4C(C)(C)C(O)C(O)CC34C)C2=O)C(O)=O)C1 | ||||||||
| InChI Identifier | InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-35(55)19-28-32(41(30)64-51)24-53(44(28)60)18-10-9-11-34(46(62)63)54-25-33-29(45(54)61)20-36(56)31-22-52(65-42(31)33)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63) | ||||||||
| InChI Key | ZRTGPZGAMCJZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
