| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-11 20:03:36 UTC |
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| Updated at | 2022-09-11 20:03:37 UTC |
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| NP-MRD ID | NP0319162 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 4,6,10,12,14,16-hexahydroxy-3,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one |
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| Description | 4,6,10,12,14,16-Hexahydroxy-3,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review very few articles have been published on 4,6,10,12,14,16-hexahydroxy-3,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one. |
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| Structure | CC1OC(=O)C(C)C(O)CC(O)CCCC(O)CC(O)CC(O)CC(O)C=CC=CC=CC=CC=CC1C InChI=1S/C30H48O8/c1-21-13-10-8-6-4-5-7-9-11-14-24(31)17-27(34)19-28(35)18-25(32)15-12-16-26(33)20-29(36)22(2)30(37)38-23(21)3/h4-11,13-14,21-29,31-36H,12,15-20H2,1-3H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H48O8 |
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| Average Mass | 536.7060 Da |
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| Monoisotopic Mass | 536.33492 Da |
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| IUPAC Name | 4,6,10,12,14,16-hexahydroxy-3,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one |
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| Traditional Name | 4,6,10,12,14,16-hexahydroxy-3,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | CC1OC(=O)C(C)C(O)CC(O)CCCC(O)CC(O)CC(O)CC(O)C=CC=CC=CC=CC=CC1C |
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| InChI Identifier | InChI=1S/C30H48O8/c1-21-13-10-8-6-4-5-7-9-11-14-24(31)17-27(34)19-28(35)18-25(32)15-12-16-26(33)20-29(36)22(2)30(37)38-23(21)3/h4-11,13-14,21-29,31-36H,12,15-20H2,1-3H3 |
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| InChI Key | XZNYCRZDVXCORM-UHFFFAOYSA-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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Macrolides and analogues |
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| Sub Class | Not Available |
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| Direct Parent | Macrolides and analogues |
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| Alternative Parents | |
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| Substituents | - Macrolide
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Polyol
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Carbonyl group
- Alcohol
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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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