| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 14:09:03 UTC |
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| Updated at | 2022-09-12 14:09:03 UTC |
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| NP-MRD ID | NP0329609 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,14r,15r,16s)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol |
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| Description | (1S,14R,15R,16S)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]Heptadeca-2,4,6,8,10,12-hexaen-4-ol belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. (1s,14r,15r,16s)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol is found in Kadsura coccinea. Based on a literature review very few articles have been published on (1S,14R,15R,16S)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0²,⁷.0⁸,¹³]Heptadeca-2,4,6,8,10,12-hexaen-4-ol. |
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| Structure | COC1=CC2=C(C(OC)=C1OC)C1=C(C=C(O)C(OC)=C1OC)[C@H]1O[C@@H]2[C@H](C)[C@@H]1C InChI=1S/C23H28O7/c1-10-11(2)19-13-9-15(25-3)21(27-5)23(29-7)17(13)16-12(18(10)30-19)8-14(24)20(26-4)22(16)28-6/h8-11,18-19,24H,1-7H3/t10-,11+,18-,19+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C23H28O7 |
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| Average Mass | 416.4700 Da |
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| Monoisotopic Mass | 416.18350 Da |
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| IUPAC Name | (1S,14R,15R,16S)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0^{2,7}.0^{8,13}]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol |
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| Traditional Name | (1S,14R,15R,16S)-5,6,9,10,11-pentamethoxy-15,16-dimethyl-17-oxatetracyclo[12.2.1.0^{2,7}.0^{8,13}]heptadeca-2(7),3,5,8(13),9,11-hexaen-4-ol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC2=C(C(OC)=C1OC)C1=C(C=C(O)C(OC)=C1OC)[C@H]1O[C@@H]2[C@H](C)[C@@H]1C |
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| InChI Identifier | InChI=1S/C23H28O7/c1-10-11(2)19-13-9-15(25-3)21(27-5)23(29-7)17(13)16-12(18(10)30-19)8-14(24)20(26-4)22(16)28-6/h8-11,18-19,24H,1-7H3/t10-,11+,18-,19+/m0/s1 |
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| InChI Key | WNZPXAXGHBMGPR-XJSVZPCESA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Tannins |
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| Sub Class | Hydrolyzable tannins |
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| Direct Parent | Hydrolyzable tannins |
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| Alternative Parents | |
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| Substituents | - Hydrolyzable tannin
- Dibenzocyclooctane lignan
- Dibenzoxepine
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Tetrahydrofuran
- Dialkyl ether
- Oxacycle
- Organoheterocyclic compound
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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