(Q105123063)

English

[(3R,3aR,5R,6E,9S,10E,11aS)-5-acetyloxy-3,6,10-trimethyl-2-methylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate

chemical compound

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type of chemical entity

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subclass of

(5-acetyloxy-3,6,10-trimethyl-2-methylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

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canonical SMILES

O=C(OC1C(=CC2OC(=C)C(C)C2CC(OC(=O)C)C(=CC1)C)C)C

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isomeric SMILES

C=C1O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](OC(C)=O)C[C@@H]2[C@H]1C

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found in taxon

Achillea sintenisii

1 reference

stated in

A sesquiterpene lactone, sintenin, from Achillea sintenisii

Identifiers

InChI

InChI=1S/C20H28O5/c1-11-7-8-18(24-15(5)21)12(2)9-20-17(13(3)14(4)23-20)10-19(11)25-16(6)22/h7,9,13,17-20H,4,8,10H2,1-3,5-6H3/b11-7+,12-9+/t13-,17+,18-,19+,20+/m0/s1

0 references

InChIKey

IYYMPESZPGDXKY-PCQNVMAVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYYMPESZPGDXKY-PCQNVMAVSA-N

(Q105123063)

[(3R,3aR,5R,6E,9S,10E,11aS)-5-acetyloxy-3,6,10-trimethyl-2-methylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate

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Identifiers

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