Record Information |
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Version | 2.0 |
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Created at | 2022-04-28 23:09:33 UTC |
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Updated at | 2022-04-28 23:09:33 UTC |
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NP-MRD ID | NP0078018 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Microfokienoxane D |
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Description | (1S,4S,5R,8R,13S,14R,17R,18R,20S)-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]Tetracos-15-en-10-one belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (+)-Microfokienoxane D is found in Microtropis fokienensis. Based on a literature review very few articles have been published on (1S,4S,5R,8R,13S,14R,17R,18R,20S)-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]Tetracos-15-en-10-one. |
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Structure | C[C@]1(CO)CC[C@]23CO[C@]4(C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2)[C@@H]3C1 InChI=1S/C30H46O3/c1-24(2)20-7-11-27(5)21(26(20,4)10-9-23(24)32)8-12-30-22-17-25(3,18-31)13-15-29(22,19-33-30)16-14-28(27,30)6/h8,12,20-22,31H,7,9-11,13-19H2,1-6H3/t20-,21+,22+,25-,26-,27+,28-,29+,30+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H46O3 |
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Average Mass | 454.6950 Da |
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Monoisotopic Mass | 454.34470 Da |
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IUPAC Name | (1S,4S,5R,8R,13S,14R,17R,18R,20S)-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-15-en-10-one |
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Traditional Name | (1S,4S,5R,8R,13S,14R,17R,18R,20S)-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-15-en-10-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@]1(CO)CC[C@]23CO[C@]4(C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2)[C@@H]3C1 |
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InChI Identifier | InChI=1S/C30H46O3/c1-24(2)20-7-11-27(5)21(26(20,4)10-9-23(24)32)8-12-30-22-17-25(3,18-31)13-15-29(22,19-33-30)16-14-28(27,30)6/h8,12,20-22,31H,7,9-11,13-19H2,1-6H3/t20-,21+,22+,25-,26-,27+,28-,29+,30+/m0/s1 |
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InChI Key | MKFYXIFFFRVTBZ-LQQBYKNUSA-N |
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Experimental Spectra |
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| Not Available | 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
- Oxepane
- Tetrahydrofuran
- Cyclic ketone
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- 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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