(Q105290931)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

406.162767792 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2C(=C)C(=O)OC2CC(C=CC(=O)C1(O)C)C)C(=C)C

0 references

isomeric SMILES

C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@@]1(C)O

0 references

found in taxon

Calea pinnatifida

1 reference

stated in

Structural clarification of germacranolides from Calea species

Identifiers

InChI

InChI=1S/C21H26O8/c1-10(2)19(24)29-18-17(27-13(5)22)16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(18,6)26/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11-,14+,16-,17-,18+,21+/m0/s1

0 references

InChIKey

VPQNLDWXNPGQQT-WJLROFGWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105290931)

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

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Identifiers

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