(Q105154024)

English

[7-[(2E,6E,9S,10R)-9,10-diacetyloxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-2-oxochromen-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic coumarin

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farnesane sesquiterpenoid

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mass

558.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₁₀

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canonical SMILES

O=C1OC2=CC(OCC=C(C)CCC=C(C)CC(OC(=O)C)C(OC(=O)C)C(O)(C)C)=CC(OC(=O)C)=C2C=C1

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isomeric SMILES

CC(=O)Oc1cc(OC/C=C(\C)CC/C=C(\C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O)cc2oc(=O)ccc12

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found in taxon

Heptaptera anisoptera

2 references

stated in

Sesquiterpene coumarin ethers from the genus Heptaptera

stated in

Coumarins from Heptaptera anisoptera

Identifiers

InChI

InChI=1S/C30H38O10/c1-18(9-8-10-19(2)15-27(38-21(4)32)29(30(6,7)35)39-22(5)33)13-14-36-23-16-25(37-20(3)31)24-11-12-28(34)40-26(24)17-23/h10-13,16-17,27,29,35H,8-9,14-15H2,1-7H3/b18-13+,19-10+/t27-,29+/m0/s1

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InChIKey

LMJUZHBREXNVBR-PYXPKPHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LMJUZHBREXNVBR-PYXPKPHASA-N

(Q105154024)

[7-[(2E,6E,9S,10R)-9,10-diacetyloxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-2-oxochromen-5-yl] acetate

Statements

Identifiers

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