(Q105198424)

English

[(1R,2R,4S,5S,9R,10S,12S,13R,14S,16R)-2,12,16-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2,12,16-Trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

410.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₇

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C1CC(O)C34C(=O)C(CO)C(C(O)CC23)C4O)C

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isomeric SMILES

CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CO)[C@H]([C@@H](O)C[C@@H]21)[C@H]3O

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found in taxon

Isodon albopilosus

2 references

stated in

ent-Kaurane Diterpenoids from Isodon albopilosus

stated in

ent-Kaurane Diterpenoids from Isodon albopilosus

Identifiers

InChI

InChI=1S/C22H34O7/c1-11(24)29-10-20(2)5-4-6-21(3)14(20)8-16(26)22-15(21)7-13(25)17(19(22)28)12(9-23)18(22)27/h12-17,19,23,25-26,28H,4-10H2,1-3H3/t12-,13+,14-,15+,16-,17-,19-,20-,21-,22+/m1/s1

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InChIKey

ORSUIUGZTSBDDK-LDNCEZQRSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ORSUIUGZTSBDDK-LDNCEZQRSA-N

1 reference

(Q105198424)

[(1R,2R,4S,5S,9R,10S,12S,13R,14S,16R)-2,12,16-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

Statements

Identifiers

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