(Q105177645)

English

[(2R,3R,4R,5S)-4-acetyloxy-5-(acetyloxymethyl)-3-hydroxyoxolan-2-yl] (1S,4R,5S,9S,10S,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-Acetyloxy-5-(acetyloxymethyl)-3-hydroxyoxolan-2-yl] 5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

518.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₈

0 references

canonical SMILES

O=C(OCC1OC(OC(=O)C2(C)CCCC3(C)C2CCC45CC(=C)C(CCC43)C5)C(O)C1OC(=O)C)C

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isomeric SMILES

C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)O[C@H]5O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]5O)CCC[C@@]4(C)[C@H]2CC[C@@H]1C3

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found in taxon

Sagittaria pygmaea

1 reference

stated in

Antibacterial diterpenoids from Sagittaria pygmaea

Identifiers

InChI

InChI=1S/C29H42O8/c1-16-13-29-12-9-21-27(4,22(29)8-7-19(16)14-29)10-6-11-28(21,5)26(33)37-25-23(32)24(35-18(3)31)20(36-25)15-34-17(2)30/h19-25,32H,1,6-15H2,2-5H3/t19-,20+,21-,22-,23-,24+,25-,27-,28+,29-/m1/s1

0 references

InChIKey

NDNXVUYCJZMRRS-YYMILFKTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NDNXVUYCJZMRRS-YYMILFKTSA-N

(Q105177645)

[(2R,3R,4R,5S)-4-acetyloxy-5-(acetyloxymethyl)-3-hydroxyoxolan-2-yl] (1S,4R,5S,9S,10S,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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Identifiers

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