(Q105269901)

English

[(2S)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chromen-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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1 reference

[2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)chromen-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

436.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chromen-6-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₃

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canonical SMILES

O=C(OC1=CC=2C=CC(OC2C(=C1)C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C

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isomeric SMILES

CC(=O)Oc1cc(C)c2c(c1)C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2

0 references

found in taxon

Stypopodium flabelliforme

1 reference

stated in

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods

Identifiers

InChI

InChI=1S/C29H40O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h11,13,15-16,18-20H,8-10,12,14,17H2,1-7H3/b22-13+,23-15+/t29-/m0/s1

0 references

InChIKey

UCHDEFJNGJCEHE-PQRHETFKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCHDEFJNGJCEHE-PQRHETFKSA-N

(Q105269901)

[(2S)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chromen-6-yl] acetate

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