(Q105181141)

English

(3R,3aR,5'S,6aS,7R,8R,10aR)-5'-(furan-3-yl)-3-hydroxy-8-methylspiro[1,3,3a,4,6,6a,8,9-octahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',5,10-trione

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-8-methylspiro[1,3,3a,4,6,6a,8,9-octahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',5,10-trione

1 reference

based on heuristic

inferred from SMILES

mass

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aR,5'S,6aS,7R,8R,10aS)-5'-(furan-3-yl)-3-hydroxy-8-methylspiro[1,3,3a,4,6,6a,8,9-octahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',5,10-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₇

0 references

canonical SMILES

O=C1OC(C2=COC=C2)CC13C(C)CC(=O)C45COC(O)C5CC(=O)CC34

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isomeric SMILES

C[C@@H]1CC(=O)[C@@]23CO[C@@H](O)[C@@H]2CC(=O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O

0 references

found in taxon

Teucrium salviastrum

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium salviastrum

Identifiers

InChI

InChI=1S/C20H22O7/c1-10-4-16(22)20-9-26-17(23)13(20)5-12(21)6-15(20)19(10)7-14(27-18(19)24)11-2-3-25-8-11/h2-3,8,10,13-15,17,23H,4-7,9H2,1H3/t10-,13+,14+,15-,17-,19-,20+/m1/s1

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InChIKey

NKUFRCFYNOXWAB-JXXLVJSQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKUFRCFYNOXWAB-JXXLVJSQSA-N

(Q105181141)

(3R,3aR,5'S,6aS,7R,8R,10aR)-5'-(furan-3-yl)-3-hydroxy-8-methylspiro[1,3,3a,4,6,6a,8,9-octahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',5,10-trione

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