(Q104959811)

English

[(1R,2S,4S,5S,9R,10S,13R,14R)-14-hydroxy-5-(hydroxymethyl)-5,9,14-trimethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

364.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₄

0 references

canonical SMILES

O=C(OC1CC2C(C)(CO)CCCC2(C)C3CCC4CC13CC4(O)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O

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found in taxon

Sideritis congesta

1 reference

stated in

Ent-kaurane diterpenoids isolated from Sideritis congesta

Identifiers

InChI

InChI=1S/C22H36O4/c1-14(24)26-18-10-17-19(2,13-23)8-5-9-20(17,3)16-7-6-15-11-22(16,18)12-21(15,4)25/h15-18,23,25H,5-13H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22-/m1/s1

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InChIKey

CIIDMMPURFCERH-OWVRDFCESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CIIDMMPURFCERH-OWVRDFCESA-N

(Q104959811)

[(1R,2S,4S,5S,9R,10S,13R,14R)-14-hydroxy-5-(hydroxymethyl)-5,9,14-trimethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Statements

Identifiers

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