(Q105314674)

English

[(1S,2S,5S,8R,9S,11R,12R,18R)-9,10,15,18-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate

group of stereoisomers with the chemical formula C₂₂H₃₀O₈

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instance of

group of stereoisomers

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1 reference

422.19406791999995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₀O₈

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canonical SMILES

O=C(OCC1(C)CCC(O)C23COC(O)(C(O)C12)C45C(=O)C(=C)C(CCC43)C5O)C

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isomeric SMILES

C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)C(O)[C@@H]1[C@](C)(COC(C)=O)CCC2O

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Identifiers

InChI

InChI=1S/C22H30O8/c1-10-12-4-5-13-20-9-30-22(28,21(13,16(10)25)17(12)26)18(27)15(20)19(3,7-6-14(20)24)8-29-11(2)23/h12-15,17-18,24,26-28H,1,4-9H2,2-3H3/t12-,13-,14?,15+,17+,18?,19-,20+,21-,22+/m0/s1

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InChIKey

WXIZMFKMNALSKU-DNSRZBSLSA-N

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PubChem CID

137705603

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WXIZMFKMNALSKU-DNSRZBSLSA-N

(Q105314674)

[(1S,2S,5S,8R,9S,11R,12R,18R)-9,10,15,18-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate

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