(Q110183568)

English

(1S,3R,5S,7R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-14-(hydroxymethyl)-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazolidin]-4'-one

group of stereoisomers with the chemical formula C₃₁H₄₃NO₉S

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

605.265852956 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₄₃NO₉S

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC6OC7OC(C)CC8(SCC(=O)N8)C7(O)OC6CC5(CO)C4CCC23C

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isomeric SMILES

C[C@@H]1CC2(NC(=O)CS2)[C@]2(O)O[C@@H]3C[C@@]4(CO)[C@@H](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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Identifiers

InChI

InChI=1S/C31H43NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,16,18-23,26,33,36-37H,3-8,10-15H2,1-2H3,(H,32,34)/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30?,31-/m1/s1

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InChIKey

GRINEMOQBRCRRY-PNHWRJPOSA-N

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PubChem CID

45270718

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GRINEMOQBRCRRY-PNHWRJPOSA-N

1 reference

(Q110183568)

(1S,3R,5S,7R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-14-(hydroxymethyl)-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazolidin]-4'-one

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