(Q105111049)

English

[(1R,2S,4R,5S,9R,10S,13S,14R)-14-ethoxy-5-(hydroxymethyl)-5,9,14-trimethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-11-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

14-ethoxy-5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-11-en-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₄

0 references

canonical SMILES

O=C(OC1CC2C(C)(CO)CCCC2(C)C3C=CC4CC13CC4(OCC)C)C

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isomeric SMILES

CCO[C@]1(C)C[C@]23C[C@H]1C=C[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@@H]1C[C@@H]3OC(C)=O

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found in taxon

Sideritis ferrensis

1 reference

stated in

Diterpenes from Sideritis ferrensis

Identifiers

InChI

InChI=1S/C24H38O4/c1-6-27-23(5)14-24-13-17(23)8-9-18(24)22(4)11-7-10-21(3,15-25)19(22)12-20(24)28-16(2)26/h8-9,17-20,25H,6-7,10-15H2,1-5H3/t17-,18+,19+,20+,21-,22+,23-,24-/m1/s1

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InChIKey

ICLBGSATRUDVEM-MFLACVNRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ICLBGSATRUDVEM-MFLACVNRSA-N

(Q105111049)

[(1R,2S,4R,5S,9R,10S,13S,14R)-14-ethoxy-5-(hydroxymethyl)-5,9,14-trimethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-11-enyl] acetate

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