(Q105325220)

English

methyl 2-[(1S,2R,4S,7R,8R,11S,12R,13R,16S)-7-(furan-3-yl)-12-(hydroxymethyl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2-[7-(furan-3-yl)-12-(hydroxymethyl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

502.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1alpha,10balpha-Epoxy-4beta-(3-furyl)-4abeta,10aalpha-dimethyl-7beta,8alpha-[[(S)-(methoxycarbonylmethyl)methylene]oxy(dimethylmethylene)]-7-(hydroxymethyl)-1,2,4a,5,6,6abeta,7,8,9,10,10a,10b-dodecahydro-4H-naphtho[2,1-c]pyran-2,10-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₉

0 references

canonical SMILES

O=C(OC)CC1OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC534)C6=COC=C6)C12CO

0 references

isomeric SMILES

COC(=O)C[C@H]1OC(C)(C)[C@H]2CC(=O)[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H](c5ccoc5)OC(=O)[C@H]5O[C@@]534)[C@]21CO

0 references

found in taxon

Vepris uguenensis

1 reference

stated in

An azole, an amide and a limonoid from Vepris uguenensis (Rutaceae).

Identifiers

InChI

InChI=1S/C27H34O9/c1-23(2)16-10-17(29)25(4)15(26(16,13-28)18(35-23)11-19(30)32-5)6-8-24(3)20(14-7-9-33-12-14)34-22(31)21-27(24,25)36-21/h7,9,12,15-16,18,20-21,28H,6,8,10-11,13H2,1-5H3/t15-,16-,18-,20-,21-,24-,25-,26-,27-/m1/s1

0 references

InChIKey

XCLFXSUTXZKNFU-RLIIIGMDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCLFXSUTXZKNFU-RLIIIGMDSA-N

(Q105325220)

methyl 2-[(1S,2R,4S,7R,8R,11S,12R,13R,16S)-7-(furan-3-yl)-12-(hydroxymethyl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate

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