(Q105186657)

English

[(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-hydroxy-4,7-bis(hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

476.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4aR,6R,7S,7aR)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3R)-3-methylpentanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

1 reference

based on heuristic

inferred from InChI

[(1R,4aR,6R,7S,7aR)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₉

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canonical SMILES

O=C(OC1CC2C(=COC(OC(=O)CC(C)CC)C2C1(O)CO)CO)C=CC3=CC=C(O)C=C3

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isomeric SMILES

CC[C@H](C)CC(=O)O[C@@H]1OC=C(CO)[C@H]2C[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@](O)(CO)[C@@H]12

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found in taxon

Viburnum luzonicum

2 references

stated in

Iridoid glucosides and p-coumaroyl iridoids from Viburnum luzonicum and their cytotoxicity

stated in

Iridoid glucosides and p-coumaroyl iridoids from Viburnum luzonicum and their cytotoxicity

Identifiers

InChI

InChI=1S/C25H32O9/c1-3-15(2)10-22(30)34-24-23-19(17(12-26)13-32-24)11-20(25(23,31)14-27)33-21(29)9-6-16-4-7-18(28)8-5-16/h4-9,13,15,19-20,23-24,26-28,31H,3,10-12,14H2,1-2H3/b9-6+/t15-,19+,20-,23+,24-,25+/m0/s1

0 references

InChIKey

NWKWZYXSZTVTRL-OXNLDGBKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NWKWZYXSZTVTRL-OXNLDGBKSA-N

1 reference

(Q105186657)

[(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate

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