(Q105217662)

English

[(4S,4aS,5R,6S,8aS)-6-acetyloxy-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] (2R)-2-methylbutanoate

chemical compound

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type of chemical entity

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subclass of

(6-Acetyloxy-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C(OC1CCC2(O)CC=3OC=C(C3C(OC(=O)C(C)CC)C2(C)C1C)C)C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CC[C@H](OC(C)=O)[C@H](C)[C@@]12C

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found in taxon

Ligularia hodgsonii

1 reference

stated in

Chemical and genetic differentiation of Ligularia hodgsonii in Japan and China

Identifiers

InChI

InChI=1S/C22H32O6/c1-7-12(2)20(24)28-19-18-13(3)11-26-17(18)10-22(25)9-8-16(27-15(5)23)14(4)21(19,22)6/h11-12,14,16,19,25H,7-10H2,1-6H3/t12-,14+,16+,19-,21+,22+/m1/s1

0 references

InChIKey

QAXWKTQHGUDVON-CNMICRPASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAXWKTQHGUDVON-CNMICRPASA-N

(Q105217662)

[(4S,4aS,5R,6S,8aS)-6-acetyloxy-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] (2R)-2-methylbutanoate

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