Sesquiterpenoids
11beta,13-Dihydro-8-deoxylactucin
杰氏苦苣菜内酯
PHY-NP-03794 · Natural product research catalog
| Catalog number | PHY-NP-03794 |
|---|---|
| CAS number | 7726-34-3 |
| Molecular formula | C15H18O4 |
| Molecular weight | 262.305 g/mol |
| Chemical class | Sesquiterpenoids |
| Main reported source | Cichorium intybus |
| Purity / assay | Min. 98% Other purity specifications available on inquiry. |
Chemical structure
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
11beta,13-Dihydro-8-deoxylactucin is listed in the Sesquiterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | (3S,3aS,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione |
|---|---|
| SMILES | C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C |
| InChIKey | SNIFBMIPCYBVSS-LMVZTGKYSA-N |
| Subclass / scaffold | Guaiane sesquiterpenoids |
| PubChem CID | 14163574 |
Computed properties
| Exact mass (Da) | 262.1205 | Predicted LogP | 1.392 |
|---|---|---|---|
| Predicted TPSA (Ų) | 63.6 | H-bond donors | 1 |
| H-bond acceptors | 4 | Rotatable bonds | 1 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 3 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.6 |
| Synthetic accessibility score | 4.36 |
| QED score | 0.725 |
| Lipinski rule violations | 0 |
| NPClassifier pathway | Terpenoids |
| NPClassifier superclass | Sesquiterpenoids |
| NPClassifier class | Guaiane sesquiterpenoids |
| Parent SMILES | CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 |
| Parent formula | C15H18O4 |
| Parent molecular weight | 262.305 |
| Specified stereocenters | 4 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Cichorium intybus |
|---|---|
| Reported source families | Asteraceae; Rhizobiaceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Cichorium intybus[3]; Helminthotheca echioides[3]; Lactuca virosa[3]; Lactuca saligna[2]; Agrobacterium rhizogenes[1]; Cichorium endivia[1]; Ixeris chinensis[1]; Lactuca quercina[1]; Lactuca serriola[1]; Lactuca sibirica[1]; Lactuca tatarica[1]; Leontodon autumnalis[1]; Parasenecio petasitoides[1]; Rhizobium rhizogenes[1]; Scorzoneroides atlantica[1] |
|---|---|
| All reported source families | Asteraceae[17]; Rhizobiaceae[2] |
| LOTUS species records | 19 |
| LOTUS reference records | 20 |
| COCONUT occurrence records | Aconitum nemorum; Aesculus glabra; Agathosma scaberula; Agrobacterium rhizogenes; Balanophora harlandii; Buxus madagascarica; Cacalia hastata; Callyspongia fistularis; Carphephorus corymbosus; Ceratostomella fimbriata; Cichorium Endivia; Cichorium endivia; Cichorium endivia L.; Cichorium intybus; Cichorium intybus L. var. Foliosum Hegi; Cichorium pumilum; Euphorbia biglandulosa; Helminthotheca echioides; Helminthotheca echioides (L.) Holub; Herba cichorii; Hypochaeris setosus Rusby; Ixeris chinensis; Justicia glauca; Krameria grayi; Lactuca perennis L.; Lactuca quercina; Lactuca quercina L.; Lactuca saligna; Lactuca saligna L.; Lactuca sativa |
| COCONUT organism records | 76 |
| COCONUT identifier | CNP0192793.1 |
Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific COA available on request; no PDF published yet |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.
![Chemical structure of [3,6,9-trimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-hydroxy-2-methyl-3-oxobutanoate](/structures/PHY-NP-03867.webp)