(Q105182966)

English

[(1S,4aS,7aS)-4-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[4-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

606.252370644 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,7aR)-4-[[(2S,3S,4R,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₁₅

0 references

canonical SMILES

O=C(OC1OC=C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C4CC=C(CO)C14)CC(C)C

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isomeric SMILES

CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]2CC=C(CO)[C@@H]12

0 references

found in taxon

Penstemon richardsonii

1 reference

stated in

Iridoid glycosides from Penstemon richardsonii

Identifiers

InChI

InChI=1S/C27H42O15/c1-11(2)5-17(31)41-25-18-12(6-28)3-4-14(18)13(9-37-25)10-38-26-23(36)21(34)24(16(8-30)40-26)42-27-22(35)20(33)19(32)15(7-29)39-27/h3,9,11,14-16,18-30,32-36H,4-8,10H2,1-2H3/t14-,15-,16-,18-,19-,20+,21-,22-,23-,24-,25+,26-,27+/m1/s1

0 references

InChIKey

NPCCFNTZZXOWME-XYZCFZHFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPCCFNTZZXOWME-XYZCFZHFSA-N

(Q105182966)

[(1S,4aS,7aS)-4-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

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Identifiers

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