(Q105118526)

English

[(1R,2S,4R,5S,9R,10S,13R)-2-acetyloxy-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2-(acetyloxy)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-14-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

404.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₅

0 references

canonical SMILES

O=C(OCC1=CC23CC1CCC2C4(C)CCCC(C)(CO)C4CC3OC(=O)C)C

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isomeric SMILES

CC(=O)OCC1=C[C@]23C[C@H]1CC[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 cystosiphon

1 reference

stated in

Diterpenes from Sideritis sventenii and S. cystosiphon

Identifiers

InChI

InChI=1S/C24H36O5/c1-15(26)28-13-18-12-24-11-17(18)6-7-19(24)23(4)9-5-8-22(3,14-25)20(23)10-21(24)29-16(2)27/h12,17,19-21,25H,5-11,13-14H2,1-4H3/t17-,19+,20+,21+,22-,23+,24-/m1/s1

0 references

InChIKey

IQQBTSWNKGZDKB-XHPIFXCPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IQQBTSWNKGZDKB-XHPIFXCPSA-N

(Q105118526)

[(1R,2S,4R,5S,9R,10S,13R)-2-acetyloxy-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

Statements

Identifiers

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