(Q104952175)

English

[(1R,3S,5R,10R,12Z,14S)-3,10,14-trimethyl-6-oxo-7-propan-2-ylidene-4,16-dioxatricyclo[11.2.1.03,5]hexadec-12-en-10-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

0 references

canonical SMILES

O=C(OC1(C)CC=C2OC(CC2C)CC3(OC3C(=O)C(=C(C)C)CC1)C)C

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isomeric SMILES

CC(=O)O[C@@]1(C)C/C=C2\O[C@H](C[C@@H]2C)C[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/c1-13(2)17-7-9-21(5,26-15(4)23)10-8-18-14(3)11-16(25-18)12-22(6)20(27-22)19(17)24/h8,14,16,20H,7,9-12H2,1-6H3/b18-8-/t14-,16+,20-,21+,22-/m0/s1

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InChIKey

CBBOSFDWKOEJCI-HRZAPVFUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CBBOSFDWKOEJCI-HRZAPVFUSA-N

1 reference

(Q104952175)

[(1R,3S,5R,10R,12Z,14S)-3,10,14-trimethyl-6-oxo-7-propan-2-ylidene-4,16-dioxatricyclo[11.2.1.03,5]hexadec-12-en-10-yl] acetate

Statements

Identifiers

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