Record Information |
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Version | 2.0 |
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Created at | 2024-05-03 19:25:28 UTC |
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Updated at | 2024-09-03 04:21:00 UTC |
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NP-MRD ID | NP0333037 |
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Natural Product DOI | https://doi.org/10.57994/2330 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cistadesertoside D |
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Description | Cistadesertoside D belongs to the class of organic compounds known as phenylbenzo-1,4-dioxanes. These are benzo-1,3-dioxanes having a phenyl group attached to the 1,4-dioxane moiety. Cistadesertoside D was first documented in 2023 (PMID: 37963833). Based on a literature review very few articles have been published on Cistadesertoside D. |
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Structure | COC1=CC(=CC(O)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1OC2=C(O[C@H]1CO)C(OC)=CC(\C=C\CO)=C2 InChI=1S/C26H32O13/c1-34-15-6-12(4-3-5-27)7-17-25(15)37-19(11-29)23(36-17)13-8-14(30)24(16(9-13)35-2)39-26-22(33)21(32)20(31)18(10-28)38-26/h3-4,6-9,18-23,26-33H,5,10-11H2,1-2H3/b4-3+/t18-,19+,20-,21+,22-,23+,26+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H32O13 |
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Average Mass | 552.5290 Da |
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Monoisotopic Mass | 552.18429 Da |
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IUPAC Name | (2S,3R,4S,5S,6R)-2-{2-hydroxy-4-[(2S,3S)-3-(hydroxymethyl)-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-6-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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Traditional Name | (2S,3R,4S,5S,6R)-2-{2-hydroxy-4-[(2S,3S)-3-(hydroxymethyl)-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-6-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(=CC(O)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1OC2=C(O[C@H]1CO)C(OC)=CC(\C=C\CO)=C2 |
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InChI Identifier | InChI=1S/C26H32O13/c1-34-15-6-12(4-3-5-27)7-17-25(15)37-19(11-29)23(36-17)13-8-14(30)24(16(9-13)35-2)39-26-22(33)21(32)20(31)18(10-28)38-26/h3-4,6-9,18-23,26-33H,5,10-11H2,1-2H3/b4-3+/t18-,19+,20-,21+,22-,23+,26+/m1/s1 |
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InChI Key | RUBPXAGFLWFLGJ-ABNZNUSBSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500, CD3OD, simulated) | nanzdchem@163.com | North Minzu University | Ze-Dong Nan | 2024-05-03 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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deserticola | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as phenylbenzo-1,4-dioxanes. These are benzo-1,3-dioxanes having a phenyl group attached to the 1,4-dioxane moiety. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Benzodioxanes |
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Sub Class | Phenylbenzodioxanes |
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Direct Parent | Phenylbenzo-1,4-dioxanes |
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Alternative Parents | |
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Substituents | - 2-phenylbenzo-1,4-dioxane
- Fatty acyl glycoside of mono- or disaccharide
- Fatty acyl glycoside
- Alkyl glycoside
- Methoxyphenol
- Benzo-1,4-dioxane
- Fatty alcohol
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Alkyl aryl ether
- Fatty acyl
- Benzenoid
- Para-dioxin
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Secondary alcohol
- Oxacycle
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- 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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