(Q104950620)

English

(4S,6R,7S,10R,11E)-5,6,7,8,9,10-Hexahydro-3-(acetoxymethyl)-6,7-dihydroxy-4-(methacryloyloxy)-6,10-dimethyl-7,10-epoxycyclodeca[b]furan-2(4H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

(1R,10R,11S)-6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

[6-(Acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

422.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2E,8R,10R,11S)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2E,8R,10R,11R)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₉

0 references

canonical SMILES

O=C1OC2=CC3(OC(O)(CC3)C(O)(C)CC(OC(=O)C(=C)C)C2=C1COC(=O)C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2

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found in taxon

Piptocarpha poeppigiana

1 reference

stated in

Isolation and structure determination of piptocarphins A-F, cytotoxic germacranolide lactones from Piptocarpha chontalensis

Vernonia mollissima

1 reference

stated in

Sesquiterpene Lactones and Other Constituents of Vernonia mollissima and Vernonia squamulosa

Identifiers

InChI

InChI=1S/C21H26O9/c1-11(2)17(23)28-15-9-20(5,25)21(26)7-6-19(4,30-21)8-14-16(15)13(18(24)29-14)10-27-12(3)22/h8,15,25-26H,1,6-7,9-10H2,2-5H3/b14-8+/t15-,19+,20+,21-/m0/s1

0 references

InChIKey

BZQDHZDSIXPDSS-CYDVCVIESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104950620)

(4S,6R,7S,10R,11E)-5,6,7,8,9,10-Hexahydro-3-(acetoxymethyl)-6,7-dihydroxy-4-(methacryloyloxy)-6,10-dimethyl-7,10-epoxycyclodeca[b]furan-2(4H)-one

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Identifiers

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