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(Q105195552)
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English
4-[2-[5-[[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
group of stereoisomers with the chemical formula C₃₁H₄₈O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
612.314576976
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₈O₁₂
0 references
canonical SMILES
O=C1OCC=C1CCC2C(=C)CCC3C(C)(COC4OC(CO)C(O)C(O)C4OC5OCC(O)(CO)C5O)CCCC23C
0 references
Identifiers
InChI
InChI=1S/C31H48O12/c1-17-5-8-21-29(2,10-4-11-30(21,3)19(17)7-6-18-9-12-39-26(18)37)15-40-27-24(23(35)22(34)20(13-32)42-27)43-28-25(36)31(38,14-33)16-41-28/h9,19-25,27-28,32-36,38H,1,4-8,10-16H2,2-3H3
0 references
InChIKey
OOQRHGBPHULERW-UHFFFAOYSA-N
0 references
PubChem CID
73008216
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OOQRHGBPHULERW-UHFFFAOYSA-N
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