Results for:
PubChem ID: 328941

7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,15,19-trione

Compound Details

Synonymous names	KETODIHYDROGENDUNIN 10584-64-2 NSC309911 7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,15,19-trione Ekeberin C1 DTXSID70316988 HUKMOJLAHVSCJE-UHFFFAOYSA-N NSC-309911 16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-20,22-dien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-l D-Homo-24-nor-17-oxachola-20,22-diene-3,7,16-trione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)- 1-(3-Furyl)-4b,7,7,10a,12a-pentamethyldecahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3ah,4bh,6H)-trione # 16,13.alpha.,14.beta.,17.alpha.-chola-20,22-dien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactone D-Homo-24-nor-17-oxachola-20,7,16-trione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)- Oxireno[c]phenanthro[1,2-d]pyran-3,5,8(3aH,4bH,6H)-one, 1-(3-furanyl)decahydro-4b,7,7,10a,12a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,10aS,10bR,12aS)-
Microorganism:	Yes
IUPAC name	7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,15,19-trione
SMILES	CC1(C2CC(=O)C3(C(C2(CCC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C
Inchi	InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-16,19-20H,6-7,9-10,12H2,
Formula	C26H32O6
PubChem ID	328941
Molweight	440.5
LogP	3.1
Atoms	32
Bonds	1
H-bond Acceptor	6
H-bond Donor	0
Chemical Classification	aromatic compounds epoxides esters ethers furan derivatives heterocyclic compounds ketones terpenes
Supernatural-ID	SN0135731

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Flavus Kate et al. 2023 Aspergillus Niger Kate et al. 2023 Pectobacterium Carotovorum Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Flavus inoculated potato samples GC-MS no Aspergillus Niger inoculated potato samples GC-MS no Pectobacterium Carotovorum inoculated potato samples GC-MS no