Results for:
PubChem ID: 185781

[(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] Acetate

Compound Details

Synonymous names
Botrydial
54986-75-3
(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate
2VQE1Z1G8Q
CHEBI:3159
UNII-2VQE1Z1G8Q
BOTRYDIAL [MI]
CHEMBL476877
SCHEMBL7708121
DTXSID20970337
LMPR0103640001
((1S,3aR,4S,6R,7S,7aR)-1,7-Diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl) acetate
[(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
C09622
Q4948811
(1S,3AR,4S,6R,7S,7AS)-4-(ACETYLOXY)OCTAHYDRO-7A-HYDROXY-1,3,3,6-TETRAMETHYL-1H-INDENE-1,7-DICARBOXALDEHYDE
1H-INDENE-1,7-DICARBOXALDEHYDE, 4-(ACETYLOXY)OCTAHYDRO-7A-HYDROXY-1,3,3,6-TETRAMETHYL-, (1S,3AR,4S,6R,7S,7AS)-
Microorganism:

No

IUPAC name[(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
SMILESCC1CC(C2C(CC(C2(C1C=O)O)(C)C=O)(C)C)OC(=O)C
InchiInChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1
FormulaC17H26O5
PubChem ID185781
Molweight310.4
LogP1.7
Atoms22
Bonds4
H-bond Acceptor5
H-bond Donor1
Chemical Classificationaldehydes alcohols esters terpenes
CHEBI-ID3159
Supernatural-IDSN0346984-03

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaBotrytis Sp.NAFehlhaber et al. 1974
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaBotrytis Sp.no