(Q105225869)

English

[(1R,2S,4R,5S,6R,9R,10R,13R,14R,16R)-2-hydroxy-5,14-bis(hydroxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1R,2S,5S,6R,9R,13R,14R,16R)-2-hydroxy-5,14-bis(hydroxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

[2-Hydroxy-5,14-bis(hydroxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

394.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4R,5R,6S,9S,10R,13S,14S,16S)-2-hydroxy-5,14-bis(hydroxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₆

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4CC3(C(O)CC2C1(C)CO)C5OC54CO)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](C[C@H](O)[C@@]34C[C@@H](CC[C@H]23)[C@]2(CO)O[C@@H]24)[C@@]1(C)CO

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found in taxon

Sideritis hirsuta

1 reference

stated in

ent-Kauranoid derivatives from Sideritis moorei

Identifiers

InChI

InChI=1S/C22H34O6/c1-12(25)27-17-6-7-19(2)14-5-4-13-9-21(14,18-22(13,11-24)28-18)16(26)8-15(19)20(17,3)10-23/h13-18,23-24,26H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20-,21-,22+/m1/s1

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InChIKey

QQJZBNLXXCQLKO-CHNXLZIBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQJZBNLXXCQLKO-CHNXLZIBSA-N

(Q105225869)

[(1R,2S,4R,5S,6R,9R,10R,13R,14R,16R)-2-hydroxy-5,14-bis(hydroxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-yl] acetate

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