(Q104996700)

English

(1'R,3R,5S,7R,9R,10R,12R,14S,15S,18R,19R,22S,23R)-14-formyl-4',10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-5'H-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazol]-1(25)-en-1'-ium-1'-olate

chemical compound

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instance of

type of chemical entity

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subclass of

10',22'-dihydroxy-7',18'-dimethyl-1,4-dioxo-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene]-14'-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

617.229467448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₉NO₁₀S

0 references

canonical SMILES

CC1CC2(NC(=O)C[S+]2[O-])C2(O)OC3CC4(C=O)C(=CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1

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isomeric SMILES

C[C@@H]1C[C@]2(NC(=O)C[S@+]2[O-])[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(=CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1

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found in taxon

Asclepias tuberosa

1 reference

stated in

An androstane bioside and 3'-thiazolidinone derivatives of doubly-linked cardenolide glycosides from the roots of Asclepias tuberosa

Identifiers

InChI

InChI=1S/C31H39NO10S/c1-16-11-30(32-24(34)14-43(30)38)31(37)26(40-16)41-22-10-18-3-4-21-20(28(18,15-33)12-23(22)42-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)39-13-17/h3,9,15-16,19-23,26,36-37H,4-8,10-14H2,1-2H3,(H,32,34)/t16-,19-,20+,21-,22-,23-,26+,27-,28-,29+,30-,31-,43+/m1/s1

0 references

InChIKey

FKNOCNQAAAQVST-YZGCPXGTSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104996700)

(1'R,3R,5S,7R,9R,10R,12R,14S,15S,18R,19R,22S,23R)-14-formyl-4',10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-5'H-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazol]-1(25)-en-1'-ium-1'-olate

Statements

Identifiers

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