(Q105226354)

English

[(1S,6S,10E,14R)-6,10,14-trimethyl-2-oxo-3-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadec-10-en-6-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,10,14-Trimethyl-2-oxo-3-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadec-10-en-6-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

362.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,6S,14R)-6,10,14-trimethyl-2-oxo-3-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadec-10-en-6-yl] acetate

1 reference

based on heuristic

inferred from InChIKey

[(1R,6R,10E,14S)-6,10,14-trimethyl-2-oxo-3-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadec-10-en-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₄

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canonical SMILES

O=C(OC1(C)CCC(C(=O)C2OC2(C)CCC=C(C)CCC1)=C(C)C)C

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isomeric SMILES

CC(=O)O[C@@]1(C)CCC/C(C)=C/CC[C@@]2(C)O[C@@H]2C(=O)C(=C(C)C)CC1

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found in taxon

Plicanthus hirtellus

1 reference

stated in

Cembrane-type diterpenoids from the Chinese liverworts Chandonanthus hirtellus and C. birmensis

Identifiers

InChI

InChI=1S/C22H34O4/c1-15(2)18-11-14-21(5,25-17(4)23)12-7-9-16(3)10-8-13-22(6)20(26-22)19(18)24/h10,20H,7-9,11-14H2,1-6H3/b16-10+/t20-,21+,22-/m1/s1

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InChIKey

QRIAHPSWAQTBHB-ZUBFFHLMSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QRIAHPSWAQTBHB-ZUBFFHLMSA-N

1 reference

(Q105226354)

[(1S,6S,10E,14R)-6,10,14-trimethyl-2-oxo-3-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadec-10-en-6-yl] acetate

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