| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-09 21:05:37 UTC |
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| Updated at | 2022-09-09 21:05:37 UTC |
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| NP-MRD ID | NP0290418 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | methyl 2-[(1z,2s,3as,3bs,4r,5r,6s,7r,9as)-2,5-bis(acetyloxy)-4,7-dihydroxy-3a,3b,6,9a-tetramethyl-10-oxo-dodecahydrocyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoate |
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| Description | Viridomonic acid A, also known as viridomonate a, belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Based on a literature review very few articles have been published on Viridomonic acid A. |
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| Structure | COC(=O)C(\CCC=C(C)C)=C1/[C@H](C[C@@]2(C)C1CC(=O)C1[C@@]3(C)CC[C@@H](O)[C@@H](C)C3[C@@H](OC(C)=O)[C@H](O)[C@]21C)OC(C)=O InChI=1S/C34H50O9/c1-17(2)11-10-12-21(31(40)41-9)26-22-15-24(38)29-32(6)14-13-23(37)18(3)27(32)28(43-20(5)36)30(39)34(29,8)33(22,7)16-25(26)42-19(4)35/h11,18,22-23,25,27-30,37,39H,10,12-16H2,1-9H3/b26-21-/t18-,22?,23-,25+,27?,28-,29?,30+,32+,33+,34-/m1/s1 |
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| Synonyms | | Value | Source |
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| Viridomonate a | Generator |
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| Chemical Formula | C34H50O9 |
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| Average Mass | 602.7650 Da |
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| Monoisotopic Mass | 602.34548 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 | COC(=O)C(\CCC=C(C)C)=C1/[C@H](C[C@@]2(C)C1CC(=O)C1[C@@]3(C)CC[C@@H](O)[C@@H](C)C3[C@@H](OC(C)=O)[C@H](O)[C@]21C)OC(C)=O |
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| InChI Identifier | InChI=1S/C34H50O9/c1-17(2)11-10-12-21(31(40)41-9)26-22-15-24(38)29-32(6)14-13-23(37)18(3)27(32)28(43-20(5)36)30(39)34(29,8)33(22,7)16-25(26)42-19(4)35/h11,18,22-23,25,27-30,37,39H,10,12-16H2,1-9H3/b26-21-/t18-,22?,23-,25+,27?,28-,29?,30+,32+,33+,34-/m1/s1 |
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| InChI Key | FKXQYPQNVVVJNI-IUWKFDSPSA-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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Steroid esters |
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| Direct Parent | Steroid esters |
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| Alternative Parents | |
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| Substituents | - Steroid ester
- 3-hydroxysteroid
- Hydroxysteroid
- 11-oxosteroid
- Oxosteroid
- 7-hydroxysteroid
- 7-alpha-hydroxysteroid
- 3-alpha-hydroxysteroid
- Tricarboxylic acid or derivatives
- Fatty acid ester
- Fatty acyl
- Cyclic alcohol
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Methyl ester
- Ketone
- Carboxylic acid ester
- Secondary alcohol
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic 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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