(Q105375635)

English

[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-3,5-dihydroxyoxan-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-6-(acetyloxymethyl)-3,5-dihydroxyoxan-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

548.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₉

0 references

canonical SMILES

O=C(OCC1OC(OC(=O)C2(C)CCCC3(C)C2CCC45CC(=C)C(CCC43)C5)C(O)C(OC(=O)C)C1O)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](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/C30H44O9/c1-16-13-30-12-9-21-28(4,22(30)8-7-19(16)14-30)10-6-11-29(21,5)27(35)39-26-24(34)25(37-18(3)32)23(33)20(38-26)15-36-17(2)31/h19-26,33-34H,1,6-15H2,2-5H3/t19-,20-,21-,22-,23-,24-,25+,26+,28-,29+,30-/m1/s1

0 references

InChIKey

ZHDNSDPHIQWJNS-RGJYMYERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZHDNSDPHIQWJNS-RGJYMYERSA-N

(Q105375635)

[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-3,5-dihydroxyoxan-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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