Record Information |
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Version | 1.0 |
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Created at | 2021-11-12 23:53:57 UTC |
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Updated at | 2021-11-26 17:46:11 UTC |
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NP-MRD ID | NP0044168 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3alpha,22S,25R,26S)-26-methoxy-22,26-epoxylanost-8-en-3-ol |
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Description | Artabotryol C2 belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (3alpha,22S,25R,26S)-26-methoxy-22,26-epoxylanost-8-en-3-ol is found in Artabotrys hexapetalus. It was first documented in 2020 (PMID: 34756393). Based on a literature review a significant number of articles have been published on Artabotryol C2 (PMID: 34758095) (PMID: 34757650) (PMID: 34756876) (PMID: 34755783). |
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Structure | [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)[C@]1([H])CC[C@@H](C)[C@@H](OC)O1 InChI=1S/C31H52O3/c1-19-9-11-24(34-27(19)33-8)20(2)21-13-17-31(7)23-10-12-25-28(3,4)26(32)15-16-29(25,5)22(23)14-18-30(21,31)6/h19-21,24-27,32H,9-18H2,1-8H3/t19-,20+,21-,24+,25+,26-,27+,29-,30-,31+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H52O3 |
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Average Mass | 472.7540 Da |
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Monoisotopic Mass | 472.39165 Da |
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IUPAC Name | (2S,5R,7R,11R,14R,15R)-14-[(1S)-1-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]ethyl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol |
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Traditional Name | (2S,5R,7R,11R,14R,15R)-14-[(1S)-1-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]ethyl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)[C@]1([H])CC[C@@H](C)[C@@H](OC)O1 |
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InChI Identifier | InChI=1S/C31H52O3/c1-19-9-11-24(34-27(19)33-8)20(2)21-13-17-31(7)23-10-12-25-28(3,4)26(32)15-16-29(25,5)22(23)14-18-30(21,31)6/h19-21,24-27,32H,9-18H2,1-8H3/t19-,20+,21-,24+,25+,26-,27+,29-,30-,31+/m1/s1 |
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InChI Key | GXUWTINUKVNWNB-BOIFOUFSSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 50 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Acetone-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 | |
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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
- 3-hydroxysteroid
- 14-alpha-methylsteroid
- Hydroxysteroid
- 3-alpha-hydroxysteroid
- Steroid
- Oxane
- Cyclic alcohol
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Organooxygen compound
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- 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 | - Guo Y, Liang C, Zhang CC, Ferrando-Soria J, Gao Y, Yang JH, Liu XY, Pardo E: Enhanced Sieving of C2-Hydrocarbon from Methane by Fluoro-Functionalization of In-MOF with Robust Stability. Chem Asian J. 2022 Jan 3;17(1):e202101220. doi: 10.1002/asia.202101220. Epub 2021 Nov 19. [PubMed:34758095 ]
- Tetik H, Orangi J, Yang G, Zhao K, Mujib SB, Singh G, Beidaghi M, Lin D: 3D Printed MXene Aerogels with Truly 3D Macrostructure and Highly Engineered Microstructure for Enhanced Electrical and Electrochemical Performance. Adv Mater. 2022 Jan;34(2):e2104980. doi: 10.1002/adma.202104980. Epub 2021 Nov 10. [PubMed:34757650 ]
- Kubat GB, Kartal Y, Atalay O, Ulger O, Ekinci O, Celik E, Safali M, Urkan M, Karahan S, Ozler M, Cicek Z, Budak MT: Investigation of the effect of isolated mitochondria transplantation on renal ischemia-reperfusion injury in rats. Toxicol Appl Pharmacol. 2021 Dec 15;433:115780. doi: 10.1016/j.taap.2021.115780. Epub 2021 Oct 29. [PubMed:34756876 ]
- Chen Q, Chen J, Chen F, Lu X, Ni B, Guo Q: Biomechanics of the effect of subaxial cervical spine degeneration on atlantoaxial complex in idiopathic retro-odontoid pseudotumor development. Clin Neurol Neurosurg. 2020 Oct 16:106314. doi: 10.1016/j.clineuro.2020.106314. [PubMed:34756393 ]
- Silva CBB, Bronzato JD, Herrera DR, Montagner F, Nunes EL, Gomes BPFA: Efficiency of a digital electrofulguration system in contaminated root canals in vitro. Braz Dent J. 2021 May-Jun;32(3):1-9. doi: 10.1590/0103-6440202104067. [PubMed:34755783 ]
- Masahiko Isaka et al. (2017). Lanostane triterpenoids from the edible mushroom Astraeus asiaticus. Tetrahedron, 73(12), 1561-1567 - March 2017. DOI: 10.1016/j.tet.2017.01.070. Tetrahedron.
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