Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 00:57:19 UTC |
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Updated at | 2022-09-09 00:57:19 UTC |
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NP-MRD ID | NP0276693 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,2r,6s,7r,9r,10r,11r,13z,15r,16s,19s,23r)-10,11,16-trihydroxy-2-[(1e,3e,5s)-5-hydroxy-4-methyl-6-methylidenedeca-1,3-dien-1-yl]-7,14,15,19-tetramethyl-12-methylidene-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]heptacos-13-ene-4,18,21-trione |
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Description | (1R,2R,6S,7R,9R,10R,11R,13Z,15R,16S,19S,23R)-10,11,16-trihydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylidenedeca-1,3-dien-1-yl]-7,14,15,19-tetramethyl-12-methylidene-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]Heptacos-13-ene-4,18,21-trione 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 (1R,2R,6S,7R,9R,10R,11R,13Z,15R,16S,19S,23R)-10,11,16-trihydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylidenedeca-1,3-dien-1-yl]-7,14,15,19-tetramethyl-12-methylidene-3,26,27-trioxatricyclo[21.2.1.1⁶,⁹]Heptacos-13-ene-4,18,21-trione. |
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Structure | CCCCC(=C)[C@H](O)C(\C)=C\C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)\C=C(C)/[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 InChI=1S/C41H62O10/c1-9-10-12-23(2)39(46)24(3)13-11-14-34-35-16-15-31(49-35)20-30(42)18-26(5)32(43)21-33(44)29(8)25(4)17-28(7)40(47)41(48)37-19-27(6)36(50-37)22-38(45)51-34/h11,13-14,17,26-27,29,31,33-37,39-41,44,46-48H,2,7,9-10,12,15-16,18-22H2,1,3-6,8H3/b14-11+,24-13+,25-17-/t26-,27+,29+,31+,33-,34+,35+,36-,37+,39-,40+,41-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C41H62O10 |
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Average Mass | 714.9370 Da |
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Monoisotopic Mass | 714.43430 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CCCCC(=C)[C@H](O)C(\C)=C\C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)\C=C(C)/[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 |
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InChI Identifier | InChI=1S/C41H62O10/c1-9-10-12-23(2)39(46)24(3)13-11-14-34-35-16-15-31(49-35)20-30(42)18-26(5)32(43)21-33(44)29(8)25(4)17-28(7)40(47)41(48)37-19-27(6)36(50-37)22-38(45)51-34/h11,13-14,17,26-27,29,31,33-37,39-41,44,46-48H,2,7,9-10,12,15-16,18-22H2,1,3-6,8H3/b14-11+,24-13+,25-17-/t26-,27+,29+,31+,33-,34+,35+,36-,37+,39-,40+,41-/m0/s1 |
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InChI Key | RNKCEFQNDOJBLW-XERQRDFISA-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
- Fatty alcohol
- Fatty acyl
- Oxolane
- Carboxylic acid ester
- Ketone
- Lactone
- Cyclic ketone
- Secondary alcohol
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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