(Q105133034)

English

[(3aR,4aR,5R,8R,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(5-Hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

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canonical SMILES

O=C1OC2CC3(C)C(OC(=O)C(C)CC)CCC(O)(C)C3CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](OC(=O)[C@H](C)CC)CC[C@@](C)(O)[C@@H]3C[C@H]12

0 references

found in taxon

Wunderlichia mirabilis

1 reference

stated in

Neue Spirosesquiterpenlactone, Germacranolide und Eudesmanolide ausWunderlichia mirabilis

Identifiers

InChI

InChI=1S/C20H30O5/c1-6-11(2)17(21)25-16-7-8-20(5,23)15-9-13-12(3)18(22)24-14(13)10-19(15,16)4/h11,13-16,23H,3,6-10H2,1-2,4-5H3/t11-,13-,14-,15-,16-,19-,20-/m1/s1

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InChIKey

JPOLRLBCAIXQAC-DDHUSZSNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JPOLRLBCAIXQAC-DDHUSZSNSA-N

(Q105133034)

[(3aR,4aR,5R,8R,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-8-yl] (2R)-2-methylbutanoate

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