| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-08 23:51:11 UTC |
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| Updated at | 2022-09-08 23:51:11 UTC |
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| NP-MRD ID | NP0275938 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,2r,4as,4bs,7r,9s,10as)-1-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-2,9-diol |
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| Description | Rubescensin P belongs to the class of organic compounds known as 6-hydroxysteroids. These are steroids carrying a hydroxyl group at the 6-position of the steroid backbone. (1s,2r,4as,4bs,7r,9s,10as)-1-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-2,9-diol is found in Isodon parvifolius and Isodon rubescens. Based on a literature review very few articles have been published on Rubescensin P. |
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| Structure | CC(CO)[C@@H]1CC[C@@H]2C(=C1)[C@@H](O)C[C@@H]1[C@@](C)(CO)[C@H](O)CC[C@@]21C InChI=1S/C20H34O4/c1-12(10-21)13-4-5-15-14(8-13)16(23)9-17-19(15,2)7-6-18(24)20(17,3)11-22/h8,12-13,15-18,21-24H,4-7,9-11H2,1-3H3/t12?,13-,15-,16+,17+,18-,19+,20-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C20H34O4 |
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| Average Mass | 338.4880 Da |
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| Monoisotopic Mass | 338.24571 Da |
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| IUPAC Name | (1S,2R,4aS,4bS,7R,9S,10aS)-1-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,9-diol |
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| Traditional Name | (1S,2R,4aS,4bS,7R,9S,10aS)-1-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-2,9-diol |
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| CAS Registry Number | Not Available |
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| SMILES | CC(CO)[C@@H]1CC[C@@H]2C(=C1)[C@@H](O)C[C@@H]1[C@@](C)(CO)[C@H](O)CC[C@@]21C |
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| InChI Identifier | InChI=1S/C20H34O4/c1-12(10-21)13-4-5-15-14(8-13)16(23)9-17-19(15,2)7-6-18(24)20(17,3)11-22/h8,12-13,15-18,21-24H,4-7,9-11H2,1-3H3/t12?,13-,15-,16+,17+,18-,19+,20-/m1/s1 |
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| InChI Key | ZFUXYLITBOMLBN-RXQDYTBSSA-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 6-hydroxysteroids. These are steroids carrying a hydroxyl group at the 6-position of the steroid backbone. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Hydroxysteroids |
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| Direct Parent | 6-hydroxysteroids |
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| Alternative Parents | |
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| Substituents | - Diterpenoid
- Abietane diterpenoid
- 6-hydroxysteroid
- Phenanthrene
- Hydrophenanthrene
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- 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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