(Q104922594)

English

[(3R,3aS,6S,7S,8S,8aR)-7-hydroxy-7-[(3S)-3-hydroxybutanoyl]-3,6-dimethyl-2-oxo-3a,4,5,6,8,8a-hexahydro-3H-cyclohepta[b]furan-8-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-hydroxy-7-(3-hydroxybutanoyl)-3,6-dimethyl-2-oxo-3a,4,5,6,8,8a-hexahydro-3H-cyclohepta[b]furan-8-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

382.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3aS,6S,7S,8S,8aR)-7-hydroxy-7-[(3R)-3-hydroxybutanoyl]-3,6-dimethyl-2-oxo-3a,4,5,6,8,8a-hexahydro-3H-cyclohepta[b]furan-8-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₇

0 references

canonical SMILES

O=C(OC1C2OC(=O)C(C)C2CCC(C)C1(O)C(=O)CC(O)C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Ratibida columnifera

1 reference

stated in

Structures of the ratibidanolides, sesquiterpene lactones with a new carbon skeleton, and unusual xanthanolides from Ratibida columnifera

Identifiers

InChI

InChI=1S/C20H30O7/c1-6-10(2)18(23)27-17-16-14(13(5)19(24)26-16)8-7-11(3)20(17,25)15(22)9-12(4)21/h6,11-14,16-17,21,25H,7-9H2,1-5H3/b10-6-/t11-,12-,13+,14-,16+,17-,20+/m0/s1

0 references

InChIKey

BBAISYCWVQINOR-QKKQDRQLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104922594)

[(3R,3aS,6S,7S,8S,8aR)-7-hydroxy-7-[(3S)-3-hydroxybutanoyl]-3,6-dimethyl-2-oxo-3a,4,5,6,8,8a-hexahydro-3H-cyclohepta[b]furan-8-yl] (Z)-2-methylbut-2-enoate

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