(Q105124945)

English

[(4S,4aS,5R,6S,8aR,9aR)-6,9a-diacetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6,9a-diacetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

448.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4S,4aS,5R,6S,8aR,9aS)-6,9a-diacetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₈

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)OC2(OC(=O)C)CC3CCC(OC(=O)C)C(C)C13C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C

0 references

found in taxon

Petasites japonicus

1 reference

stated in

Eremophilenolides from petasites japonicus

Identifiers

InChI

InChI=1S/C24H32O8/c1-8-12(2)21(27)30-20-19-13(3)22(28)32-24(19,31-16(6)26)11-17-9-10-18(29-15(5)25)14(4)23(17,20)7/h8,14,17-18,20H,9-11H2,1-7H3/b12-8-/t14-,17+,18-,20+,23+,24+/m0/s1

0 references

InChIKey

JCLSIIMGJPBTMP-DTUHXLQHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JCLSIIMGJPBTMP-DTUHXLQHSA-N

(Q105124945)

[(4S,4aS,5R,6S,8aR,9aR)-6,9a-diacetyloxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

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