(Q105162184)

English

(1R,15S,16S,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

chemical compound

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instance of

type of chemical entity

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subclass of

16-Ethenyl-4-hydroxy-5-methoxy-15-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

1 reference

based on heuristic

inferred from SMILES

mass

637.237054928 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6'-O-alpha-D-Xylopyranosylalangiside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₉NO₁₄

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canonical SMILES

O=C1C2=COC(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(C=C)C2CC5C6=CC(O)=C(OC)C=C6CCN15

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isomeric SMILES

C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21

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found in taxon

Alangium lamarckii

1 reference

stated in

Isolation of Two Unusual Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii as Possible Intermediates in the Non-enzymatic Formation of Alangimarine from Alangiside

Alangium salviifolium

1 reference

stated in

Isolation of Two Unusual Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii as Possible Intermediates in the Non-enzymatic Formation of Alangimarine from Alangiside

Identifiers

InChI

InChI=1S/C30H39NO14/c1-3-13-15-7-17-14-8-18(32)20(40-2)6-12(14)4-5-31(17)27(39)16(15)9-41-28(13)45-30-26(38)24(36)23(35)21(44-30)11-43-29-25(37)22(34)19(33)10-42-29/h3,6,8-9,13,15,17,19,21-26,28-30,32-38H,1,4-5,7,10-11H2,2H3/t13-,15-,17+,19-,21+,22-,23+,24-,25-,26+,28-,29+,30-/m0/s1

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InChIKey

MEEQMJBHUXXUGY-YKGSTJCCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105162184)

(1R,15S,16S,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

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Identifiers

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