(Q105229080)

English

[(1R,2S,4R,6S,7R,8S,9R)-6-[(Z)-4-hydroxypent-3-enoyl]oxy-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-4-hydroxypent-3-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(4-Hydroxypent-3-enoyloxy)-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] 4-hydroxypent-3-enoate

1 reference

based on heuristic

inferred from SMILES

mass

448.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₇

0 references

canonical SMILES

O=C(OC1CC(OC(=O)CC=C(O)C)C2(C)C3C(=O)CC(C)C2C3C1(C)C)CC=C(O)C

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isomeric SMILES

C/C(O)=C/CC(=O)O[C@H]1C[C@@H](OC(=O)C/C=C(/C)O)C(C)(C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@]13C

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found in taxon

Stevia aristata

1 reference

stated in

Beyerene derivatives and other terpenoids from Stevia aristata

Identifiers

InChI

InChI=1S/C25H36O7/c1-13-11-16(28)22-23-21(13)25(22,6)18(32-20(30)10-8-15(3)27)12-17(24(23,4)5)31-19(29)9-7-14(2)26/h7-8,13,17-18,21-23,26-27H,9-12H2,1-6H3/b14-7-,15-8-/t13-,17-,18+,21+,22-,23+,25-/m1/s1

0 references

InChIKey

QWCFOIMUSPVFCU-XSOAEXBMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWCFOIMUSPVFCU-XSOAEXBMSA-N

(Q105229080)

[(1R,2S,4R,6S,7R,8S,9R)-6-[(Z)-4-hydroxypent-3-enoyl]oxy-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undecanyl] (Z)-4-hydroxypent-3-enoate

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Identifiers

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