Labd-14-ene, 8,13-epoxy-, (13R)-
PubChem CID: 6453839
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| Compound Synonyms | Labd-14-ene, 8,13-epoxy-, (13R)-, 596-84-9, (+)-Manoyl oxide, Manoyl oxide, (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene, ent-13-epi-manoyl oxide, 1H-Naphtho(2,1-b)pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, (3R-(3alpha,4abeta,6aalpha,10abeta,10balpha))-, 3-Ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran (3R-(3alpha,4abeta,6aalpha,10abeta,10balpha))-, 3-Ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran, (13R)-ent-8,13-epoxylabd-14-ene, (-)-ent-13-epi-Manoyl oxide, DTXSID40975006, CHEBI:138224, (13R)-epi-8,13-epoxylabd-14-ene, C21714, (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran, 1H-NAPHTHO(2,1-B)PYRAN, 3-ETHENYLDODECAHYDRO-3,4A,7,7,10A-PENTAMETHYL-, [3R-(3A,4A,B.,6A,A,10A,B,10B,A)], 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, (3R,4aS,6aR,10aR,10bS)-, 27642-41-7 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | IGGWKHQYMAJOHK-QVHQYWGISA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-Manoyl oxide, 8&alpha, ,13-Epoxylabd-14-ene, Labd-14-ene, 8,13-epoxy-, (13R)-, Manooloxide, Manoyl oxide |
| Heavy Atom Count | 21.0 |
| Compound Name | Labd-14-ene, 8,13-epoxy-, (13R)- |
| Description | Manoyl oxide, also known as (-)-ent-13-epi-manoyl oxide, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Manoyl oxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Manoyl oxide can be found in pot marjoram, which makes manoyl oxide a potential biomarker for the consumption of this food product. |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m1/s1 |
| Smiles | C[C@@]1(CC[C@H]2[C@@]3(CCCC([C@H]3CC[C@@]2(O1)C)(C)C)C)C=C |
| Xlogp | 5.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H34O |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Onites (Plant) Rel Props:Source_db:fooddb_chem_all