Record Information |
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Version | 1.0 |
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Created at | 2021-11-12 23:53:41 UTC |
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Updated at | 2021-11-26 17:46:08 UTC |
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NP-MRD ID | NP0044163 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 3-acetyllucidumol B |
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Description | 3-Acetyl-lucidumol B belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. It was first documented in 2021 (PMID: 34758541). Based on a literature review a significant number of articles have been published on 3-acetyl-lucidumol B (PMID: 34758536) (PMID: 34758492) (PMID: 34758485) (PMID: 34758456) (PMID: 34758461) (PMID: 34758426). |
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Structure | [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)CC[C@H](O)C(C)(C)O InChI=1S/C32H52O4/c1-20(10-13-26(34)29(5,6)35)22-14-18-32(9)24-11-12-25-28(3,4)27(36-21(2)33)16-17-30(25,7)23(24)15-19-31(22,32)8/h11,15,20,22,25-27,34-35H,10,12-14,16-19H2,1-9H3/t20-,22-,25+,26+,27+,30-,31-,32+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C32H52O4 |
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Average Mass | 500.7640 Da |
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Monoisotopic Mass | 500.38656 Da |
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IUPAC Name | (2S,5S,7R,11R,14R,15R)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-5-yl acetate |
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Traditional Name | (2S,5S,7R,11R,14R,15R)-14-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),9-dien-5-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)[C@H](C)CC[C@H](O)C(C)(C)O |
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InChI Identifier | InChI=1S/C32H52O4/c1-20(10-13-26(34)29(5,6)35)22-14-18-32(9)24-11-12-25-28(3,4)27(36-21(2)33)16-17-30(25,7)23(24)15-19-31(22,32)8/h11,15,20,22,25-27,34-35H,10,12-14,16-19H2,1-9H3/t20-,22-,25+,26+,27+,30-,31-,32+/m1/s1 |
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InChI Key | XLSSNOGPDBTMBM-AVMHZLENSA-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, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, 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 | Ganoderma hainanense |
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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
- 25-hydroxysteroid
- 24-hydroxysteroid
- Dihydroxy bile acid, alcohol, or derivatives
- Cholane-skeleton
- Hydroxy bile acid, alcohol, or derivatives
- Bile acid, alcohol, or derivatives
- Steroid ester
- 14-alpha-methylsteroid
- Steroid
- Delta-7-steroid
- Tertiary alcohol
- Secondary alcohol
- Carboxylic acid ester
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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General References | - Dai Y, Wang YH, An Y, Lu C, Zhang HH, Fan XT, Wei PH, Ren LK, Shan YZ, Zhao GG: [Observation of efficacy and safety of stereotactic-EEG-guided three-dimensional radiofrequency thermocoagulation for the treatment of drug-resistant insular epilepsy]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3386-3392. doi: 10.3760/cma.j.cn112137-20210505-01057. [PubMed:34758541 ]
- Ren SQ, Wei Y, Wang YQ, Ou Y, Wang Q, Feng HL, Luo C, Nie Y, Lyu Q, Fan SD, Zhou F, Chen ZJ, Zhong S, Tian JZ, Wang D: [Comparison of single incision robot-assisted laparoscopic radical prostatectomy with and without extraperitoneal special channel device]. Zhonghua Yi Xue Za Zhi. 2021 Nov 2;101(40):3345-3350. doi: 10.3760/cma.j.cn112137-20210303-00545. [PubMed:34758536 ]
- Khosravi M: A Possible Type IV Hypersensitivity Reaction to Older Antiepileptic Drugs During and After Recovery from COVID-19 Infection. Pharmacopsychiatry. 2021 Nov 10. doi: 10.1055/a-1678-7429. [PubMed:34758492 ]
- She X, Berger TW, Song D: A Double-Layer, Multi-Resolution Classification Model for Decoding Spatiotemporal Patterns of Spikes with Small Sample Size. Neural Comput. 2021 Nov 4:1-36. doi: 10.1162/neco_a_01459. [PubMed:34758485 ]
- Gottlieb M, Eys M, Hardy J, Benson AJ: Valued Insight or Act of Insubordination? How Context Shapes Coaches' Perceptions of Challenge-Oriented Followership. J Sport Exerc Psychol. 2021 Nov 10:1-9. doi: 10.1123/jsep.2021-0122. [PubMed:34758456 ]
- Causa R, Almagro-Nievas D, Rivera-Izquierdo M, Benitez-Munoz N, Lopez-Hernandez B, Garcia-Garcia F, Alvarez-Estevez M, Soto-Perez MO, Bermudez-Tamayo C: Antibody Response 3 Months after 2 Doses of BNT162b2 mRNA COVID-19 Vaccine in Residents of Long-Term Care Facilities. Gerontology. 2021 Nov 10:1-7. doi: 10.1159/000519711. [PubMed:34758461 ]
- Raiesi O, Hashemi SJ, Yarahmadi M, Getso MI, Raissi V, Amiri S, Borjian Boroujeni Z: Allergic fungal rhinosinusitis caused by Neoscytalidium dimidiatum: A case report: Allergic fungal rhinosinusitis due to Neoscytalidium dimidiatum. J Mycol Med. 2022 Mar;32(1):101212. doi: 10.1016/j.mycmed.2021.101212. Epub 2021 Oct 12. [PubMed:34758426 ]
- O'Donnell KL, Pinski AN, Clancy CS, Gourdine T, Shifflett K, Fletcher P, Messaoudi I, Marzi A: Pathogenic and transcriptomic differences of emerging SARS-CoV-2 variants in the Syrian golden hamster model. EBioMedicine. 2021 Nov;73:103675. doi: 10.1016/j.ebiom.2021.103675. Epub 2021 Nov 7. [PubMed:34758415 ]
- Ramirez-Ramirez JA, Madrigal Y, Alzate JF, Pabon-Mora N: Evolution and expression of the MADS-box flowering transition genes AGAMOUS-like 24/SHORT VEGETATIVE PHASE with emphasis in selected Neotropical orchids. Cells Dev. 2021 Nov 8:203755. doi: 10.1016/j.cdev.2021.203755. [PubMed:34758403 ]
- Jian MJ, Chung HY, Chang CK, Lin JC, Yeh KM, Chen CW, Lin DY, Chang FY, Hung KS, Perng CL, Shang HS: SARS-CoV-2 variants with T135I nucleocapsid mutations may affect antigen test performance. Int J Infect Dis. 2022 Jan;114:112-114. doi: 10.1016/j.ijid.2021.11.006. Epub 2021 Nov 7. [PubMed:34758391 ]
- Farooq MA, Islam F, Ayyaz A, Chen W, Noor Y, Hu W, Hannan F, Zhou W: Mitigation effects of exogenous melatonin-selenium nanoparticles on arsenic-induced stress in Brassica napus. Environ Pollut. 2022 Jan 1;292(Pt B):118473. doi: 10.1016/j.envpol.2021.118473. Epub 2021 Nov 7. [PubMed:34758366 ]
- Orr B, De Sousa F, Gomes AM, Afonso O, Ferreira LT, Figueiredo AC, Maiato H: An anaphase surveillance mechanism prevents micronuclei formation from frequent chromosome segregation errors. Cell Rep. 2021 Nov 9;37(6):109783. doi: 10.1016/j.celrep.2021.109783. [PubMed:34758324 ]
- Papini D, Levasseur MD, Higgins JMG: The Aurora B gradient sustains kinetochore stability in anaphase. Cell Rep. 2021 Nov 9;37(6):109818. doi: 10.1016/j.celrep.2021.109818. [PubMed:34758321 ]
- Yewdell WT, Smolkin RM, Belcheva KT, Mendoza A, Michaels AJ, Cols M, Angeletti D, Yewdell JW, Chaudhuri J: Temporal dynamics of persistent germinal centers and memory B cell differentiation following respiratory virus infection. Cell Rep. 2021 Nov 9;37(6):109961. doi: 10.1016/j.celrep.2021.109961. [PubMed:34758310 ]
- Lee K, Park OS, Go JY, Yu J, Han JH, Kim J, Bae S, Jung YJ, Seo PJ: Arabidopsis ATXR2 represses de novo shoot organogenesis in the transition from callus to shoot formation. Cell Rep. 2021 Nov 9;37(6):109980. doi: 10.1016/j.celrep.2021.109980. [PubMed:34758306 ]
- Liefeng Ma et al. (2019). Bioassay-guided isolation of lanostane-type triterpenoids as α-glucosidase inhibitors from Ganoderma hainanense. Phytochemistry Letters 29:154-159, February 2019. DOI: 10.1016/j.phytol.2018.12.007. Phytochemistry Letters.
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