(Q105179213)

English

[(2R,3S,4S,5R,6S)-6-[[(1S,3aR,5aS,8R,8aR,9aR)-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,7-b]furan-8-yl]oxy]-5-acetyloxy-3,4-dihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(acetyloxy)-6-({3,5-dimethyl-8-methylidene-2-oxo-octahydro-3H-azuleno[6,5-b]furan-5-yl}oxy)-3,4-dihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₁₀

0 references

canonical SMILES

O=C(OCC1OC(OC2(C)CCC3C(=C)CC4OC(=O)C(C)C4CC32)C(OC(=O)C)C(O)C1O)C

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isomeric SMILES

C=C1C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O

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found in taxon

Geigeria ornativa

1 reference

stated in

Sesquiterpene lactones and other terpenes from Geigeria species

Identifiers

InChI

InChI=1S/C25H36O10/c1-11-8-18-16(12(2)23(30)33-18)9-17-15(11)6-7-25(17,5)35-24-22(32-14(4)27)21(29)20(28)19(34-24)10-31-13(3)26/h12,15-22,24,28-29H,1,6-10H2,2-5H3/t12-,15+,16+,17+,18+,19+,20+,21-,22+,24-,25+/m0/s1

0 references

InChIKey

NGVOSVJBMPZFNB-XDZZORAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NGVOSVJBMPZFNB-XDZZORAOSA-N

(Q105179213)

[(2R,3S,4S,5R,6S)-6-[[(1S,3aR,5aS,8R,8aR,9aR)-1,8-dimethyl-5-methylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,7-b]furan-8-yl]oxy]-5-acetyloxy-3,4-dihydroxyoxan-2-yl]methyl acetate

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Identifiers

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