(Q105236093)

English

[(1S,4aS,5R,7S,7aR)-4a-hydroxy-7-methyl-7-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

624.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₆O₁₂

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canonical SMILES

O=C(OC1CC(OC(=O)C=CC=2C=CC=CC2)(C)C3C(OC=CC13O)OC4OC(CO)C(O)C(O)C4O)C=CC=5C=CC=CC5

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isomeric SMILES

C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12

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found in taxon

Strobilanthes yunnanensis

1 reference

stated in

Abietane lactones and iridoids from Goldfussia yunnanensis

Identifiers

InChI

InChI=1S/C33H36O12/c1-32(45-25(36)15-13-21-10-6-3-7-11-21)18-23(43-24(35)14-12-20-8-4-2-5-9-20)33(40)16-17-41-31(29(32)33)44-30-28(39)27(38)26(37)22(19-34)42-30/h2-17,22-23,26-31,34,37-40H,18-19H2,1H3/b14-12+,15-13+/t22-,23-,26-,27+,28-,29+,30+,31+,32+,33-/m1/s1

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InChIKey

RGTYZRPQZIEUER-QAZHSFSASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGTYZRPQZIEUER-QAZHSFSASA-N

(Q105236093)

[(1S,4aS,5R,7S,7aR)-4a-hydroxy-7-methyl-7-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-phenylprop-2-enoate

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Identifiers

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