(Q105131891)

English

[(1R,6R,10E,14S)-6,10,14-trimethyl-2,9-dioxo-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

0 references

subclass of

cembrane

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mass

376.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₅

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canonical SMILES

O=C(OC1(C)CCC(=O)C(=CCCC2(OC2C(=O)C(=C(C)C)CC1)C)C)C

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isomeric SMILES

CC(=O)O[C@@]1(C)CCC(=O)/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/C22H32O5/c1-14(2)17-9-12-21(5,26-16(4)23)13-10-18(24)15(3)8-7-11-22(6)20(27-22)19(17)25/h8,20H,7,9-13H2,1-6H3/b15-8+/t20-,21+,22-/m0/s1

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InChIKey

JNFYTEVLFJWCJH-VUWNFVCTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JNFYTEVLFJWCJH-VUWNFVCTSA-N

1 reference

(Q105131891)

[(1R,6R,10E,14S)-6,10,14-trimethyl-2,9-dioxo-3-propan-2-ylidene-15-oxabicyclo[12.1.0]pentadec-10-en-6-yl] acetate

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Identifiers

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