(Q104986870)

English

[(1S,2S,4R,5S,6R,8S,10S,11R)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-10-hydroxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1'R,2R,2'S,4'R,5'S,6'R,8'R)-5'-[(2S,3aS,6aS)-2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl]-11'-hydroxy-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-2'-yl acetate

1 reference

based on heuristic

inferred from SMILES

5'-{2H,3H,3aH,6aH-furo[2,3-b]furan-2-yl}-11'-hydroxy-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-2'-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4R,5S,6R,8R,10S,11R)-5-[(3aS,5S,6aR)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-10-hydroxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₂H₃₀O₇

0 references

canonical SMILES

O=C(OC1CC(C)C(C)(C2OC3OC=CC3C2)C4CC5OC(O)C14C6(OC6)C5)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@H]3C[C@]4(CO4)[C@@]12[C@@H](O)O3

0 references

found in taxon

Scutellaria albida

1 reference

stated in

Neo-clerodane diterpenoids from Scutellaria altissima and S. albida

Scutellaria discolor

1 reference

stated in

Studies on Nepalese Crude Drugs. XXI. On the Diterpenoid Constituents of the Aerial Part of Scutellaria discolor COLEBR.

Identifiers

InChI

InChI=1S/C22H30O7/c1-11-6-17(27-12(2)23)22-15(8-14(28-19(22)24)9-21(22)10-26-21)20(11,3)16-7-13-4-5-25-18(13)29-16/h4-5,11,13-19,24H,6-10H2,1-3H3/t11-,13-,14 ,15-,16 ,17 ,18 ,19 ,20 ,21 ,22-/m1/s1

0 references

InChIKey

DQDNSXZRRDXRPS-HKTRRPKXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQDNSXZRRDXRPS-HKTRRPKXSA-N

(Q104986870)

[(1S,2S,4R,5S,6R,8S,10S,11R)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-10-hydroxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-2-yl] acetate

Statements

Identifiers

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