8,13-Abietadien-18-oic acid
PubChem CID: 16040
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| Compound Synonyms | 8,13-Abietadien-18-oic acid, 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid, 8,13-Abietadien-18-Oate, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, strontium salt, (1R,4aR,4bR,10aR)-, palustrate, 13-Isopropyl-Podocarpa-8,13-dien-15-oic acid, 66104-41-4, 13-isopropylpodocarpa-8,13-dien-15-oic acid, Podocarpa-8, 13-isopropyl-, SCHEMBL151743, DTXSID70862793, Abieta-8,13-dien-18-oic acid, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1.alpha.,4a.beta.,10a.alpha.))-, Abieta-8,13-dien-18-oic acid #, NSC148945, LMPR0104050012, Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI), 1-Phenanthrenecarboxylic acid,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]- |
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| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Pinus palustris (pitch pine) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diterpenoids |
| Molecular Formula | C20H30O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MLBYBBUZURKHAW-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.588 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 4.188 |
| Synonyms | 13-Isopropyl-podocarpa-8,13-dien-15-Oic acid, Palustric acid, Podocarpa-8,13-dien-15-oic acid, 13-isopropyl-, Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI), 8,13-Abietadien-18-Oate, Podocarpa-8,13-dien-15-Oic acid, 13-isopropyl- (8ci) |
| Compound Name | 8,13-Abietadien-18-oic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -4.405639600000001 |
| Inchi | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22) |
| Smiles | CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Massoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all