Lasiokaurin (Q27136136)

inferred from SMILES

mass

406.199±0 dalton

1 reference

CHEBI:67664 (English)

[(1S,2R,5S,8R,9S,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

Kaur-16-en-15-one, 1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1alpha,6beta,7alpha,14R)-

inferred from InChI

1 reference

(1S,2S,5S,8R,9R,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-15-yl acetate

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₂H₃₀O₇

1 reference

CHEBI:67664 (English)

7 October 2016

canonical SMILES

CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C

1 reference

CHEBI:67664 (English)

7 October 2016

isomeric SMILES

CC(=O)O[C@H]1CCC([C@@H]2[C@@]13CO[C@]([C@H]2O)([C@]45[C@H]3CC[C@@H]([C@H]4O)C(=C)C5=O)O)(C)C

1 reference

CHEBI:67664 (English)

InChI=1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13+,14+,15-,17-,18+,20-,21+,22-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:67664 (English)

DJQLJZNVICMJRV-XMJLGDTCSA-N

7 October 2016

InChIKey

2 references

CHEBI:67664 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Lasiokaurin (English)

7 October 2016

1 reference

(1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,14R)-6,7,14-Trihydroxy-15-oxo-7,20-epoxykaur-16-en-1-yl acetate (English)

7 October 2016

2 references

CHEBI:67664 (English)

matched by identifier from

7 October 2016

InChIKey

DJQLJZNVICMJRV-XMJLGDTCSA-N

ChEBI ID

67664

mapping relation type

2 references

Lasiokaurin (English)