(Q105274080)

English

(1S,3'aR,5R,6S,7R,7'aR,9S,10S)-7-hydroxy-3'a,10-dimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,7'-4,5,6,7a-tetrahydro-3H-2-benzofuran]-1',2,11-trione

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-3'a,10-dimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,7'-4,5,6,7a-tetrahydro-3H-2-benzofuran]-1',2,11-trione

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

1 reference

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C1OCC2(C)CCCC3(COC(=O)C45C(=O)C(C)C(CC(O)C43)C5)C12

0 references

isomeric SMILES

C[C@@H]1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)COC(=O)[C@H]21)COC3=O

0 references

found in taxon

Isodon rubescens

1 reference

stated in

Cytotoxic constituents of Isodon rubescens var. lushiensis.

Identifiers

InChI

InChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h10-14,21H,3-9H2,1-2H3/t10-,11+,12+,13-,14+,18-,19+,20-/m0/s1

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InChIKey

UJOVIPONWVKELP-UNAOMNQTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJOVIPONWVKELP-UNAOMNQTSA-N

(Q105274080)

(1S,3'aR,5R,6S,7R,7'aR,9S,10S)-7-hydroxy-3'a,10-dimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,7'-4,5,6,7a-tetrahydro-3H-2-benzofuran]-1',2,11-trione

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