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(Q105348017)
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English
4-[2-[5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
group of stereoisomers with the chemical formula C₂₆H₄₀O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
480.27231824
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₀O₈
0 references
canonical SMILES
O=C1OCC=C1CCC2C(=C)CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)CCCC23C
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found in taxon
Andrographis
1 reference
stated in
The structure and stereochemistry of neoandrographolide, a diterpene glucoside from Andrographis paniculata nees
Andrographis paniculata
1 reference
stated in
A new ent-labdane diterpenoid from Andrographis paniculata
Identifiers
InChI
InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3
0 references
InChIKey
YGCYRQKJYWQXHG-UHFFFAOYSA-N
0 references
PubChem CID
4662580
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YGCYRQKJYWQXHG-UHFFFAOYSA-N
ChEBI ID
182117
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3
UniChem compound ID
68508206
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0255516
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YGCYRQKJYWQXHG-UHFFFAOYSA-N
Probes And Drugs ID
PD065166
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