(Q105372908)

English

methyl (1S,3R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 3-methoxy-1-methyl-8-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

566.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,3R,4aS,8R,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,3R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,3S,4aS,8R,8aR)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1S,3S,4aS,8R,8aR)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1S,3S,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₁₃

0 references

canonical SMILES

O=C(OCC1OC(OC2OC=C(C(=O)OC)C3CC(OC)OC(C)C23)C(O)C(O)C1O)C=CC4=CC=C(O)C=C4

0 references

isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](OC)C[C@H]12

0 references

found in taxon

Isertia haenkeana

1 reference

stated in

New Secoiridoids from Isertia haenkeana

Identifiers

InChI

InChI=1S/C27H34O13/c1-13-21-16(10-20(34-2)38-13)17(25(33)35-3)11-37-26(21)40-27-24(32)23(31)22(30)18(39-27)12-36-19(29)9-6-14-4-7-15(28)8-5-14/h4-9,11,13,16,18,20-24,26-28,30-32H,10,12H2,1-3H3/b9-6+/t13-,16+,18+,20+,21+,22+,23-,24+,26-,27-/m0/s1

0 references

InChIKey

ZDZLKQAIMLXIRP-YBWPQGGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZDZLKQAIMLXIRP-YBWPQGGZSA-N

(Q105372908)

methyl (1S,3R,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate

Statements

Identifiers

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