(Q104990114)

English

[(1S)-4aalpha,5alpha,7alpha-Trihydroxy-7-methyl-1,4a,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-1alpha-yl]6-O-[(Z)-3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranoside

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

510.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[[(1S)-1,4a,5,6,7,7aalpha-Hexahydro-4aalpha,5alpha,7alpha-trihydroxy-7-methylcyclopenta[c]pyran]-1-yl]6-O-[3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₀O₁₂

0 references

canonical SMILES

O=C(OCC1OC(OC2OC=CC3(O)C(O)CC(O)(C)C23)C(O)C(O)C1O)C=CC4=CC=C(O)C=C4

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isomeric SMILES

C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)/C=C\c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

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found in taxon

Rogeria adenophylla

1 reference

stated in

Iridoid glucosides from Rogeria adenophylla

Identifiers

InChI

InChI=1S/C24H30O12/c1-23(31)10-15(26)24(32)8-9-33-22(20(23)24)36-21-19(30)18(29)17(28)14(35-21)11-34-16(27)7-4-12-2-5-13(25)6-3-12/h2-9,14-15,17-22,25-26,28-32H,10-11H2,1H3/b7-4-/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1

0 references

InChIKey

DVGYMYBBSXLKHP-IGMOPMLQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVGYMYBBSXLKHP-IGMOPMLQSA-N

1 reference

(Q104990114)

[(1S)-4aalpha,5alpha,7alpha-Trihydroxy-7-methyl-1,4a,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-1alpha-yl]6-O-[(Z)-3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranoside

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