(Q105245774)

English

[(2aR,5'S,5aS,6R,7R,9R,9aR)-5'-(furan-3-yl)-9-hydroxy-7-methyl-2'-oxospiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5'-(furan-3-yl)-3-hydroxy-5-methyl-2'-oxo-octahydrospiro[naphtho[1,8a-b]oxete-6,3'-oxolan]-9a-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OCC12OCC32C(O)CC(C)C4(C(=O)OC(C5=COC=C5)C4)C3CCC1)C

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isomeric SMILES

CC(=O)OC[C@@]12CCC[C@@H]3[C@@]4(C[C@@H](c5ccoc5)OC4=O)[C@H](C)C[C@@H](O)[C@]31CO2

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found in taxon

Teucrium canadense

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium canadense

Identifiers

InChI

InChI=1S/C22H28O7/c1-13-8-18(24)22-12-28-20(22,11-27-14(2)23)6-3-4-17(22)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,24H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,18-,20+,21-,22+/m1/s1

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InChIKey

RUSGFBWEUKTLNE-RBANXJOPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RUSGFBWEUKTLNE-RBANXJOPSA-N

(Q105245774)

[(2aR,5'S,5aS,6R,7R,9R,9aR)-5'-(furan-3-yl)-9-hydroxy-7-methyl-2'-oxospiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2a-yl]methyl acetate

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Identifiers

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