(Q105176944)

English

[(3aR,4S,5R,6R,9E,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

408.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5R,6R,9Z,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₈

0 references

canonical SMILES

O=C1OC2CC(=CCC(=O)C(O)(C)C(OC(=O)C)C(OC(=O)C(C)C)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C/C(C)=C/CC(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@H]12

0 references

found in taxon

Neurolaena oaxacana

1 reference

stated in

Sesquiterpene lactones from neurolaena oaxacana

Identifiers

InChI

InChI=1S/C21H28O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7,10,14,16-18,26H,4,8-9H2,1-3,5-6H3/b11-7+/t14-,16-,17+,18-,21+/m1/s1

0 references

InChIKey

NBRAQNXWMLYAFU-ZBLCAKEJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NBRAQNXWMLYAFU-ZBLCAKEJSA-N

(Q105176944)

[(3aR,4S,5R,6R,9E,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

Statements

Identifiers

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