Record Information |
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Version | 2.0 |
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Created at | 2022-09-07 14:22:46 UTC |
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Updated at | 2022-09-07 14:22:47 UTC |
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NP-MRD ID | NP0251238 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (6r,7r,9r,13r,14r,18s,25s)-6,7,17-trihydroxy-5,9,13,20,20,25-hexamethyl-3-oxahexacyclo[11.9.3.0¹,¹⁸.0⁵,¹⁰.0⁹,¹⁴.0¹⁷,²⁵]pentacosan-2-one |
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Description | Maslinic lactone belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (6r,7r,9r,13r,14r,18s,25s)-6,7,17-trihydroxy-5,9,13,20,20,25-hexamethyl-3-oxahexacyclo[11.9.3.0¹,¹⁸.0⁵,¹⁰.0⁹,¹⁴.0¹⁷,²⁵]pentacosan-2-one is found in Terminalia elliptica. It was first documented in 2015 (PMID: 25172756). Based on a literature review very few articles have been published on Maslinic lactone (PMID: 29273414). |
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Structure | CC1(C)CCC23CC[C@@]4(C)[C@]5(C)CCC6[C@](C)(C[C@@H](O)[C@H](O)C6(C)COC2=O)[C@H]5CCC4(O)[C@H]3C1 InChI=1S/C30H48O5/c1-24(2)11-13-29-14-12-28(6)27(5)9-7-19-25(3,20(27)8-10-30(28,34)21(29)16-24)15-18(31)22(32)26(19,4)17-35-23(29)33/h18-22,31-32,34H,7-17H2,1-6H3/t18-,19?,20-,21+,22+,25+,26?,27-,28+,29?,30?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H48O5 |
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Average Mass | 488.7090 Da |
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Monoisotopic Mass | 488.35017 Da |
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IUPAC Name | (6R,7R,9R,13R,14R,18S,25S)-6,7,17-trihydroxy-5,9,13,20,20,25-hexamethyl-3-oxahexacyclo[11.9.3.0^{1,18}.0^{5,10}.0^{9,14}.0^{17,25}]pentacosan-2-one |
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Traditional Name | (6R,7R,9R,13R,14R,18S,25S)-6,7,17-trihydroxy-5,9,13,20,20,25-hexamethyl-3-oxahexacyclo[11.9.3.0^{1,18}.0^{5,10}.0^{9,14}.0^{17,25}]pentacosan-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CCC23CC[C@@]4(C)[C@]5(C)CCC6[C@](C)(C[C@@H](O)[C@H](O)C6(C)COC2=O)[C@H]5CCC4(O)[C@H]3C1 |
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InChI Identifier | InChI=1S/C30H48O5/c1-24(2)11-13-29-14-12-28(6)27(5)9-7-19-25(3,20(27)8-10-30(28,34)21(29)16-24)15-18(31)22(32)26(19,4)17-35-23(29)33/h18-22,31-32,34H,7-17H2,1-6H3/t18-,19?,20-,21+,22+,25+,26?,27-,28+,29?,30?/m1/s1 |
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InChI Key | LCZCZLBAOZHACV-KMEXWRGHSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 triterpenoids. These are terpene molecules containing six isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Macrolide
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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