(Q104982455)

English

[(4S,4aS,5R,6S,8aS,9aS)-8a,9a-dihydroxy-4-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] butanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(8a,9a-Dihydroxy-4-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl) butanoate

1 reference

based on heuristic

inferred from SMILES

mass

382.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₇

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canonical SMILES

O=C1OC2(O)C(=C1C)C(OC)C3(C)C(C)C(OC(=O)CCC)CCC3(O)C2

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isomeric SMILES

CCCC(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OC)[C@]2(C)[C@H]1C

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found in taxon

Parasenecio roborowskii

1 reference

stated in

Eremophilane sesquiterpenes from Cacalia roborowskii

Identifiers

InChI

InChI=1S/C20H30O7/c1-6-7-14(21)26-13-8-9-19(23)10-20(24)15(11(2)17(22)27-20)16(25-5)18(19,4)12(13)3/h12-13,16,23-24H,6-10H2,1-5H3/t12-,13-,16+,18-,19-,20-/m0/s1

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InChIKey

DJNFZNSGPLZMIG-YROVIJAFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DJNFZNSGPLZMIG-YROVIJAFSA-N

(Q104982455)

[(4S,4aS,5R,6S,8aS,9aS)-8a,9a-dihydroxy-4-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] butanoate

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Identifiers

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