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Macrocalyxoformin D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Isolongirabdiol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C1OCC2(CCCC(C)(CO)C2CO)C3CCC4C(=C)C(=O)C13C4
0 references
isomeric SMILES
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@](C)(CO)[C@H]1CO)COC3=O
0 references
found in taxon
Isodon longitubus
4 references
stated in
Longirabdolactone and longirabdacetal, 6,7-seco-ent-kaurenoids from Rabdosia longituba
stated in
Longirabdolide C, a New Diterpenoid from Rabdosia longituba
stated in
Conformation and Absolute Stereochemistry of Macrocalyxoformin D (=Longirabdiol).
stated in
Rabdokaurins C and D, Two New Diterpenes from Rabdosia longituba.
Isodon macrocalyx
1 reference
stated in
Chemical structure 5. Structure for Mito-So.
Identifiers
InChI
InChI=1S/C20H28O5/c1-12-13-4-5-14-19(7-3-6-18(2,10-22)15(19)9-21)11-25-17(24)20(14,8-13)16(12)23/h13-15,21-22H,1,3-11H2,2H3/t13-,14+,15-,18+,19-,20+/m1/s1
0 references
InChIKey
IESLWBVKXPGPQJ-UGCNJCKESA-N
0 references
PubChem CID
11725321
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IESLWBVKXPGPQJ-UGCNJCKESA-N
UniChem compound ID
32469918
1 reference
stated in
UniChem
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