Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:47:42 UTC |
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Updated at | 2021-06-30 00:19:00 UTC |
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NP-MRD ID | NP0043368 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | stelleracin B |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | Stelleracin b belongs to the class of organic compounds known as phorbol esters. These are tigliane diterpenoids which are esters of phorbol. Thus, stelleracin b is considered to be an isoprenoid. stelleracin B is found in Stellera chamaejasme. It was first documented in 2021 (PMID: 34610622). Based on a literature review a significant number of articles have been published on Stelleracin b (PMID: 34610608) (PMID: 34610582) (PMID: 34610539) (PMID: 34610502). |
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Structure | [H]OC([H])([H])C1=C([H])[C@@]2([H])[C@@]3([H])[C@@](OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])([C@]([H])(OC(=O)C4=C([H])C([H])=C([H])C([H])=C4[H])[C@@]([H])(C([H])([H])[H])[C@]2(O[H])[C@]2([H])C([H])=C(C(=O)[C@@]2(O[H])C1([H])[H])C([H])([H])[H])C3(C([H])([H])[H])C([H])([H])[H] InChI=1S/C37H46O8/c1-6-7-8-9-10-11-15-18-29(39)45-37-30(34(37,4)5)27-20-25(22-38)21-35(42)28(19-23(2)31(35)40)36(27,43)24(3)32(37)44-33(41)26-16-13-12-14-17-26/h7-8,10-14,16-17,19-20,24,27-28,30,32,38,42-43H,6,9,15,18,21-22H2,1-5H3/b8-7-,11-10-/t24-,27+,28-,30-,32-,35-,36-,37-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C37H46O8 |
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Average Mass | 618.7670 Da |
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Monoisotopic Mass | 618.31927 Da |
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IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-[(4Z,7Z)-deca-4,7-dienoyloxy]-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl benzoate |
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Traditional Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-[(4Z,7Z)-deca-4,7-dienoyloxy]-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl benzoate |
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CAS Registry Number | Not Available |
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SMILES | [H]OC([H])([H])C1=C([H])[C@@]2([H])[C@@]3([H])[C@@](OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])([C@]([H])(OC(=O)C4=C([H])C([H])=C([H])C([H])=C4[H])[C@@]([H])(C([H])([H])[H])[C@]2(O[H])[C@]2([H])C([H])=C(C(=O)[C@@]2(O[H])C1([H])[H])C([H])([H])[H])C3(C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C37H46O8/c1-6-7-8-9-10-11-15-18-29(39)45-37-30(34(37,4)5)27-20-25(22-38)21-35(42)28(19-23(2)31(35)40)36(27,43)24(3)32(37)44-33(41)26-16-13-12-14-17-26/h7-8,10-14,16-17,19-20,24,27-28,30,32,38,42-43H,6,9,15,18,21-22H2,1-5H3/b8-7-,11-10-/t24-,27+,28-,30-,32-,35-,36-,37-/m1/s1 |
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InChI Key | HCPYBGDUUHWAPM-SKMAVYCASA-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, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CDCl3, 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 | Species Name | Source | Reference |
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Stellera chamaejasme | JEOL database | - Asada, Y., et al, J. Nat. Prod. 76, 852 (2013)
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phorbol esters. These are tigliane diterpenoids which are esters of phorbol. |
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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 | Diterpenoids |
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Direct Parent | Phorbol esters |
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Alternative Parents | |
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Substituents | - Phorbol ester
- Benzoate ester
- Benzoic acid or derivatives
- Benzoyl
- Fatty acid ester
- Benzenoid
- Fatty acyl
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Tertiary alcohol
- Cyclic alcohol
- Carboxylic acid ester
- Ketone
- Carboxylic acid derivative
- Primary alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Alcohol
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic 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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General References | - Zellweger C, Berger N, Wieler J, Cioni D, Neri E, Boss A, Frauenfelder T, Marcon M: Breast Computed Tomography: Diagnostic Performance of the Maximum Intensity Projection Reformations as a Stand-Alone Method for the Detection and Characterization of Breast Findings. Invest Radiol. 2021 Oct 4. pii: 00004424-900000000-98663. doi: 10.1097/RLI.0000000000000829. [PubMed:34610622 ]
- Yoshida G, Ushirozako H, Imagama S, Kobayashi K, Ando K, Ando M, Kawabata S, Yamada K, Kanchiku T, Fujiwara Y, Taniguchi S, Iwasaki H, Shigematsu H, Takatani T, Tadokoro N, Takahashi M, Wada K, Yamamoto N, Funaba M, Yasuda A, Hashimoto J, Morito S, Tani T, Matsuyama Y: Transcranial Motor-evoked Potential Alert after Supine-to-Prone Position Change during Thoracic Ossification in Posterior Longitudinal Ligament Surgery: A Prospective Multicenter Study of the Monitoring Committee of the Japanese Society for Spine Surgery and Related Research. Spine (Phila Pa 1976). 2021 Oct 4. pii: 00007632-900000000-93541. doi: 10.1097/BRS.0000000000004246. [PubMed:34610608 ]
- Wu Z, Guan Q, Han X, Liu X, Li L, Qiu L, Qian Z, Zhou S, Wang X, Zhang H: A novel prognostic signature based on immune-related genes of diffuse large B-cell lymphoma. Aging (Albany NY). 2021 Oct 5;13(undefined). pii: 203587. doi: 10.18632/aging.203587. [PubMed:34610582 ]
- Gotipamul PP, Vattikondala G, Rajan KD, Khanna S, Rathinam M, Chidambaram S: Impact of piezoelectric effect on the heterogeneous visible photocatalysis of g-C3N4/Ag/ZnO tricomponent. Chemosphere. 2021 Sep 21;287(Pt 4):132298. doi: 10.1016/j.chemosphere.2021.132298. [PubMed:34610539 ]
- Steck AJ: Anti-MAG neuropathy: From biology to clinical management. J Neuroimmunol. 2021 Sep 28;361:577725. doi: 10.1016/j.jneuroim.2021.577725. [PubMed:34610502 ]
- Asada, Y., et al. (2013). Asada, Y., et al, J. Nat. Prod. 76, 852 (2013). J. Nat. Prod..
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