(Q104987882)

English

[(1S)-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-[6-O-(4-hydroxycinnamoyl)-beta-D-glucopyranosyloxy]-7-(hydroxymethyl)cyclopenta[c]pyran-1alpha-yl]beta-D-glucopyranoside

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[[7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

654.215985136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₁₆

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canonical SMILES

O=C(OCC1OC(OC2C=C(CO)C3C(OC=CC23)OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@@H]2C=C(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Verbascum salviifolium

1 reference

stated in

Two New Iridoid Glucosides from Verbascum salviifolium Boiss.

Identifiers

InChI

InChI=1S/C30H38O16/c31-10-14-9-17(16-7-8-41-28(21(14)16)46-30-27(40)24(37)22(35)18(11-32)44-30)43-29-26(39)25(38)23(36)19(45-29)12-42-20(34)6-3-13-1-4-15(33)5-2-13/h1-9,16-19,21-33,35-40H,10-12H2/b6-3+/t16-,17+,18+,19+,21+,22+,23+,24-,25-,26+,27+,28-,29+,30-/m0/s1

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InChIKey

DSLBZAFLIICEPO-MGURFEEQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DSLBZAFLIICEPO-MGURFEEQSA-N

1 reference

(Q104987882)

[(1S)-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-[6-O-(4-hydroxycinnamoyl)-beta-D-glucopyranosyloxy]-7-(hydroxymethyl)cyclopenta[c]pyran-1alpha-yl]beta-D-glucopyranoside

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