(Q104941801)

English

methyl (1S,2S,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl (1'S,2'R,3R,7'R,8'R,11'R)-5',7',11'-trihydroxy-2'-methyl-4,10'-dioxo-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-7'-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

356.11073222 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₀O₉

0 references

canonical SMILES

O=C1OC2CC3(C1O)C(C)CCC3(O)C4(C(=O)OC4)C2(O)C(=O)OC

0 references

isomeric SMILES

COC(=O)[C@]1(O)[C@H]2C[C@]3([C@@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2

0 references

found in taxon

Illicium verum

1 reference

stated in

A seco-cycloartane from Illicium verum

Identifiers

InChI

InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3/t7-,8+,9-,13-,14+,15+,16+/m0/s1

0 references

InChIKey

BPDHZCGFGOWILW-WUAXORPDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BPDHZCGFGOWILW-WUAXORPDSA-N

(Q104941801)

methyl (1S,2S,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate

Statements

Identifiers

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