Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-05 21:26:12 UTC |
---|
Updated at | 2022-09-05 21:26:13 UTC |
---|
NP-MRD ID | NP0220197 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 7-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde |
---|
Description | 5-Hydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecane-2-carbaldehyde belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative. 7-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde is found in Coronilla scorpioides. Based on a literature review very few articles have been published on 5-hydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecane-2-carbaldehyde. |
---|
Structure | CC12CCC3C(CCC4CC(O)CCC34C=O)C1CCC2C1=CC(=O)OC1 InChI=1S/C23H32O4/c1-22-8-7-20-17(3-2-15-11-16(25)6-9-23(15,20)13-24)19(22)5-4-18(22)14-10-21(26)27-12-14/h10,13,15-20,25H,2-9,11-12H2,1H3 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C23H32O4 |
---|
Average Mass | 372.5050 Da |
---|
Monoisotopic Mass | 372.23006 Da |
---|
IUPAC Name | 5-hydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-2-carbaldehyde |
---|
Traditional Name | 5-hydroxy-15-methyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-2-carbaldehyde |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC12CCC3C(CCC4CC(O)CCC34C=O)C1CCC2C1=CC(=O)OC1 |
---|
InChI Identifier | InChI=1S/C23H32O4/c1-22-8-7-20-17(3-2-15-11-16(25)6-9-23(15,20)13-24)19(22)5-4-18(22)14-10-21(26)27-12-14/h10,13,15-20,25H,2-9,11-12H2,1H3 |
---|
InChI Key | TYYDXNISHGVDGA-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Steroids and steroid derivatives |
---|
Sub Class | Steroid lactones |
---|
Direct Parent | Cardenolides and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Cardanolide-skeleton
- 19-oxosteroid
- 3-hydroxysteroid
- Hydroxysteroid
- Oxosteroid
- 2-furanone
- Cyclic alcohol
- Dihydrofuran
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Secondary alcohol
- Lactone
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Aldehyde
- Organooxygen compound
- Aliphatic heteropolycyclic compound
|
---|
Molecular Framework | Aliphatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|