Record Information |
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Version | 1.0 |
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Created at | 2022-09-05 00:54:08 UTC |
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Updated at | 2022-09-05 00:54:08 UTC |
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NP-MRD ID | NP0205072 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,3ar,4s,5ar,7s,9as,11r,11ar)-4,7,11-trihydroxy-3a,6,6,9a,11a-pentamethyl-1-(3-methyl-5-oxooxolan-3-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione |
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Description | 12-Epi-ganoderlactone D belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. It was first documented in 2022 (PMID: 36070964). Based on a literature review a significant number of articles have been published on 12-epi-ganoderlactone D (PMID: 36070911) (PMID: 36070872) (PMID: 36070832) (PMID: 36070700) (PMID: 36070596) (PMID: 36070633). |
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Structure | CC1(COC(=O)C1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O InChI=1S/C27H38O7/c1-23(2)14-9-13(28)19-20(25(14,4)8-7-16(23)29)21(32)22(33)26(5)15(10-17(30)27(19,26)6)24(3)11-18(31)34-12-24/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15+,16-,22-,24?,25-,26-,27-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C27H38O7 |
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Average Mass | 474.5940 Da |
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Monoisotopic Mass | 474.26175 Da |
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IUPAC Name | (2S,5S,7R,9S,11R,14R,15R,16R)-5,9,16-trihydroxy-2,6,6,11,15-pentamethyl-14-(3-methyl-5-oxooxolan-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-12,17-dione |
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Traditional Name | (2S,5S,7R,9S,11R,14R,15R,16R)-5,9,16-trihydroxy-2,6,6,11,15-pentamethyl-14-(3-methyl-5-oxooxolan-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-ene-12,17-dione |
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CAS Registry Number | Not Available |
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SMILES | CC1(COC(=O)C1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |
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InChI Identifier | InChI=1S/C27H38O7/c1-23(2)14-9-13(28)19-20(25(14,4)8-7-16(23)29)21(32)22(33)26(5)15(10-17(30)27(19,26)6)24(3)11-18(31)34-12-24/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15+,16-,22-,24?,25-,26-,27-/m0/s1 |
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InChI Key | VFLFRNUNYMZADL-FAMHMAGJSA-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 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
- Steroid lactone
- 14-alpha-methylsteroid
- 12-alpha-hydroxysteroid
- 7-hydroxysteroid
- 7-alpha-hydroxysteroid
- 3-beta-hydroxysteroid
- Oxosteroid
- 15-oxosteroid
- 11-oxosteroid
- Hydroxysteroid
- 12-hydroxysteroid
- 3-hydroxysteroid
- Steroid
- Cyclohexenone
- Gamma butyrolactone
- Tetrahydrofuran
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Ketone
- 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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General References | - Uehara M, Wada-Hiraike O, Koga K, Yamamoto N, Hirano M, Harada M, Hirota Y, Osuga Y: Prediction of the final menstrual period in women taking Dienogest using estradiol and follicle-stimulating hormone values: a case-control study. Endocr J. 2022 Sep 7. doi: 10.1507/endocrj.EJ22-0158. [PubMed:36070964 ]
- Ochiai T, Higashitani M, Ookoshi S, Kasamaki R, Taya Y, Nemoto Y, Komatsu Y, Abe N, Shiina K, Chikamori T: [The case of an octogenarian who died of acute myocardial infarction complicated with acute pulmonary embolism from a right ventricular thrombus]. Nihon Ronen Igakkai Zasshi. 2022;59(3):371-377. doi: 10.3143/geriatrics.59.371. [PubMed:36070911 ]
- Jo JY, Lee YJ, Seo HK, Kang MJ, Cho IA, Choi WJ, Kim SC, Cho MC: Vitamin D Status and Bone Health in Postmenopausal Women Working in Greenhouses. J Menopausal Med. 2022 Aug;28(2):70-77. doi: 10.6118/jmm.21033. [PubMed:36070872 ]
- Vera J, Janicijevic D, Miras-Moreno S, Perez-Castilla A, Jimenez R, Redondo B, Garcia-Ramos A: Intraocular pressure responses to a virtual reality shooting simulation in active-duty members of the Spanish Army: The influence of task complexity. Physiol Behav. 2022 Nov 1;256:113957. doi: 10.1016/j.physbeh.2022.113957. Epub 2022 Sep 5. [PubMed:36070832 ]
- Maffioli E, Murtas G, Rabattoni V, Badone B, Tripodi F, Iannuzzi F, Licastro D, Nonnis S, Rinaldi AM, Motta Z, Sacchi S, Canu N, Tedeschi G, Coccetti P, Pollegioni L: Insulin and serine metabolism as sex-specific hallmarks of Alzheimer's disease in the human hippocampus. Cell Rep. 2022 Sep 6;40(10):111271. doi: 10.1016/j.celrep.2022.111271. [PubMed:36070700 ]
- Barve AR, Kapileshwari GR, DCruz CEM, Kumar L, Bhide PJ, Mahajan AA, Arondekar AS, Shirodkar RK: Solubility Enhancement of Ebastine by Formulating Microemulsion Using D-Optimal Mixture Design: Optimization and Characterization. Assay Drug Dev Technol. 2022 Aug-Sep;20(6):258-273. doi: 10.1089/adt.2022.049. Epub 2022 Sep 7. [PubMed:36070596 ]
- Bavishi S, Chaudhary D, Li J, Naik S, Abedi V, Zand R: Long-term mortality in ischemic stroke patients with concomitant chronic obstructive pulmonary disease. J Stroke Cerebrovasc Dis. 2022 Nov;31(11):106701. doi: 10.1016/j.jstrokecerebrovasdis.2022.106701. Epub 2022 Sep 5. [PubMed:36070633 ]
- Al M, Taskin HE: Weight Loss, Type 2 Diabetes, and Nutrition in 355 Patients with Obesity Undergoing Sleeve Gastrectomy with Transit Bipartition: Two-Year Outcomes. Obes Facts. 2022;15(5):717-729. doi: 10.1159/000526718. Epub 2022 Sep 7. [PubMed:36070685 ]
- Celis JE, Espejo W, Chiang G, Kitamura D, Vergara E, Kashiwada S, O'Driscoll NJ: Trace and rare earth elements in excreta of two species of marine mammals from South Shetland Islands, Antarctica. Mar Pollut Bull. 2022 Oct;183:114095. doi: 10.1016/j.marpolbul.2022.114095. Epub 2022 Sep 5. [PubMed:36070639 ]
- East NR, Forster C, Carrella LM, Rentschler E, Heinze K: The Full d(3)-d(5) Redox Series of Mononuclear Manganese Complexes: Geometries and Electronic Structures of [Mn(dgpy)(2)](n). Inorg Chem. 2022 Sep 19;61(37):14616-14625. doi: 10.1021/acs.inorgchem.2c01680. Epub 2022 Sep 7. [PubMed:36070611 ]
- LOTUS database [Link]
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