Record Information |
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Version | 1.0 |
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Created at | 2021-11-12 23:54:02 UTC |
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Updated at | 2021-11-26 17:46:12 UTC |
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NP-MRD ID | NP0044170 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Astraeusin P |
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Description | Astraeusin P belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Astraeusin P is found in Astraeus asiaticus. It was first documented in 2021 (PMID: 34758546). Based on a literature review a significant number of articles have been published on Astraeusin P (PMID: 34758536) (PMID: 34758545) (PMID: 34758544) (PMID: 34758540). |
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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@@H](O)CC=C(C)C=O InChI=1S/C30H48O3/c1-19(18-31)8-10-24(32)20(2)21-12-16-30(7)23-9-11-25-27(3,4)26(33)14-15-28(25,5)22(23)13-17-29(21,30)6/h8,18,20-21,24-26,32-33H,9-17H2,1-7H3/t20-,21+,24-,25-,26+,28+,29+,30-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H48O3 |
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Average Mass | 456.7110 Da |
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Monoisotopic Mass | 456.36035 Da |
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IUPAC Name | (5S,6S)-5-hydroxy-6-[(2S,5R,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enal |
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Traditional Name | (5S,6S)-5-hydroxy-6-[(2S,5R,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enal |
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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@@H](O)CC=C(C)C=O |
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InChI Identifier | InChI=1S/C30H48O3/c1-19(18-31)8-10-24(32)20(2)21-12-16-30(7)23-9-11-25-27(3,4)26(33)14-15-28(25,5)22(23)13-17-29(21,30)6/h8,18,20-21,24-26,32-33H,9-17H2,1-7H3/t20-,21+,24-,25-,26+,28+,29+,30-/m0/s1 |
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InChI Key | YFYWSGKZEZRVCN-RXPMIZTQSA-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
- 27-oxosteroid
- 26-oxosteroid
- Dihydroxy bile acid, alcohol, or derivatives
- Hydroxy bile acid, alcohol, or derivatives
- 22-hydroxysteroid
- Bile acid, alcohol, or derivatives
- 14-alpha-methylsteroid
- 3-alpha-hydroxysteroid
- Oxosteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Steroid
- Enal
- Cyclic alcohol
- Alpha,beta-unsaturated aldehyde
- Secondary alcohol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- 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 | - 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 ]
- Dong HH, Cai YS, Liang XN, Miao JB, Chen QS, Gao YD, Li H: [Analysis of incidence and risk factors for postoperative venous thromboembolism in patients with stage a non-small-cell lung cancer]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3417-3421. doi: 10.3760/cma.j.cn112137-20210418-00929. [PubMed:34758546 ]
- Chai YR, Gao JB, Lyu PJ, Liang P, Xing JJ, Liu J: [Comparative study of CT relative enhancement value and subjective visual evaluation for intestinal ischemia in patients with closed loop obstruction]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3411-3416. doi: 10.3760/cma.j.cn112137-20210328-00756. [PubMed:34758545 ]
- Yang B, Zhao JL, Huang ZC, Su ZZ, Li MT, Zeng XF, Hu CJ: [Value of IgA antiphospholipid antibodies in diagnosis of the antiphospholipid syndrome]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3404-3410. doi: 10.3760/cma.j.cn112137-20210424-00976. [PubMed:34758544 ]
- Liu Z, Zhou J, Guan YG, Zhai F, Wang MY, Wang J, Zhao M, Wang XF, Zhang Y, Teng PF, Luan GM: [Clinical characteristics, surgical treatment and prognosis of rolandic and perirolandic drug-resistant epilepsies]. Zhonghua Yi Xue Za Zhi. 2021 Nov 9;101(41):3380-3385. doi: 10.3760/cma.j.cn112137-20210729-01691. [PubMed:34758540 ]
- 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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