Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-09-05 23:32:16 UTC |
---|
Updated at | 2022-09-05 23:32:17 UTC |
---|
NP-MRD ID | NP0221855 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 20-ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid |
---|
Description | 20-Ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]Tetracos-4-ene-11-carboxylic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 20-ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid is found in Lantana camara. 20-Ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]Tetracos-4-ene-11-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
---|
Structure | CCOC12CCC3(CO1)C(CCC1(C)C3CC=C3C4CC(C)(C)CCC4(CCC13C)C(O)=O)C2(C)C InChI=1S/C32H50O4/c1-8-35-32-18-17-31(20-36-32)23(27(32,4)5)11-12-29(7)24(31)10-9-21-22-19-26(2,3)13-15-30(22,25(33)34)16-14-28(21,29)6/h9,22-24H,8,10-20H2,1-7H3,(H,33,34) |
---|
Synonyms | Value | Source |
---|
20-Ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0,.0,.0,.0,]tetracos-4-ene-11-carboxylate | Generator | 20-Ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylate | Generator |
|
---|
Chemical Formula | C32H50O4 |
---|
Average Mass | 498.7480 Da |
---|
Monoisotopic Mass | 498.37091 Da |
---|
IUPAC Name | 20-ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid |
---|
Traditional Name | 20-ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCOC12CCC3(CO1)C(CCC1(C)C3CC=C3C4CC(C)(C)CCC4(CCC13C)C(O)=O)C2(C)C |
---|
InChI Identifier | InChI=1S/C32H50O4/c1-8-35-32-18-17-31(20-36-32)23(27(32,4)5)11-12-29(7)24(31)10-9-21-22-19-26(2,3)13-15-30(22,25(33)34)16-14-28(21,29)6/h9,22-24H,8,10-20H2,1-7H3,(H,33,34) |
---|
InChI Key | CNDCEHUMJFVSHA-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 triterpenoids. These are terpene molecules containing six isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Triterpenoids |
---|
Direct Parent | Triterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Triterpenoid
- Naphthopyran
- Naphthalene
- Ketal
- Oxane
- Pyran
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- 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 | |
---|