(Q104967099)

English

(1R,1'S,3aS,4R,6'R,7aR,9'R)-1-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione

chemical compound

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instance of

type of chemical entity

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subclass of

1-Hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C1OCC2(CCCC3(C)C(O)OCC32)C4CCC5C(=C)C(=O)C14C5

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@@]1(CCC[C@]2(C)[C@H]1CO[C@H]2O)COC3=O

0 references

found in taxon

Isodon longitubus

1 reference

stated in

Longirabdolactone and longirabdacetal, 6,7-seco-ent-kaurenoids from Rabdosia longituba

Identifiers

InChI

InChI=1S/C20H26O5/c1-11-12-4-5-13-19(10-25-17(23)20(13,8-12)15(11)21)7-3-6-18(2)14(19)9-24-16(18)22/h12-14,16,22H,1,3-10H2,2H3/t12-,13-,14-,16-,18-,19-,20+/m1/s1

0 references

InChIKey

COKCKHYUZSETSY-NIQJFZTPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

COKCKHYUZSETSY-NIQJFZTPSA-N

(Q104967099)

(1R,1'S,3aS,4R,6'R,7aR,9'R)-1-hydroxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione

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