(Q104945036)

English

[(1R,3R,5S,10S,11R,12R)-5-acetyloxy-10,12-dihydroxy-3,12-dimethyl-8-oxo-2,9,15-trioxatetracyclo[9.3.1.01,3.06,10]pentadec-6-en-7-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-Acetyloxy-10,12-dihydroxy-3,12-dimethyl-8-oxo-2,9,15-trioxatetracyclo[9.3.1.01,3.06,10]pentadec-6-en-7-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

412.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₁₀

0 references

canonical SMILES

O=C1OC2(O)C(=C1COC(=O)C)C(OC(=O)C)CC3(OC43OC2C(O)(C)CC4)C

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isomeric SMILES

CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@]3(C)O[C@]34CC[C@@](C)(O)[C@@H](O4)[C@@]2(O)OC1=O

0 references

found in taxon

Cyrtocymura scorpioides

1 reference

stated in

Sesquiterpene lactones from Vernonia scorpioides and their in vitro cytotoxicity.

Identifiers

InChI

InChI=1S/C19H24O10/c1-9(20)25-8-11-13-12(26-10(2)21)7-17(4)18(29-17)6-5-16(3,23)15(28-18)19(13,24)27-14(11)22/h12,15,23-24H,5-8H2,1-4H3/t12-,15+,16+,17+,18+,19-/m0/s1

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InChIKey

BRVNVNAIJJELEH-PLZQHRNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BRVNVNAIJJELEH-PLZQHRNFSA-N

(Q104945036)

[(1R,3R,5S,10S,11R,12R)-5-acetyloxy-10,12-dihydroxy-3,12-dimethyl-8-oxo-2,9,15-trioxatetracyclo[9.3.1.01,3.06,10]pentadec-6-en-7-yl]methyl acetate

Statements

Identifiers

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