(Q104937140)

English

(5Z)-5-[(1S,4S,5S,6R,8S,9R,11R)-9-[(E)-but-1-enyl]-4-methyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one

group of stereoisomers with the chemical formula C₂₈H₃₇NO₁₁

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Statements

instance of

group of stereoisomers

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subclass of

pyrrolizidine alkaloid

1 reference

inferred from

pyrrolizidine alkaloid

1 reference

563.236661004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₇NO₁₁

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canonical SMILES

O=C1OC(C(OC)=C1C)=C2OC34OC5CC(N6C(OC7OC(CO)C(O)C(O)C7O)CC3C65C=CCC)C4C2C

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isomeric SMILES

CC/C=C/[C@]12C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)N1[C@@H]1C[C@@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@@H](C)[C@@H]12

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Identifiers

InChI

InChI=1S/C28H37NO11/c1-5-6-7-27-15-9-17(37-26-21(33)20(32)19(31)14(10-30)36-26)29(27)13-8-16(27)39-28(15)18(13)11(2)23(40-28)24-22(35-4)12(3)25(34)38-24/h6-7,11,13-21,26,30-33H,5,8-10H2,1-4H3/b7-6+,24-23-/t11-,13+,14+,15?,16-,17+,18-,19+,20-,21+,26-,27+,28+/m0/s1

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InChIKey

BJKGSCJIXRPNQW-SUTXXYCDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJKGSCJIXRPNQW-SUTXXYCDSA-N

(Q104937140)

(5Z)-5-[(1S,4S,5S,6R,8S,9R,11R)-9-[(E)-but-1-enyl]-4-methyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one

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