(Q103818743)

English

[2,4,5-Triacetyloxy-3-[10,13-di(butan-2-yl)-14-hydroxy-12-methoxy-1-oxido-11-oxo-2,9-dioxa-12-aza-1-azoniatricyclo[8.4.0.03,8]tetradec-13-en-6-yl]-6-(4-hydroxycyclohexyl)cyclohexyl] acetate

group of stereoisomers with the chemical formula C₃₉H₆₀N₂O₁₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

796.39936922 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₀N₂O₁₅

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(C(OC(=O)C)C(OC(=O)C)C1C2CCC(O)CC2)C3CCC4O[N+]5([O-])C(O)=C(N(OC)C(=O)C5(OC4C3)C(C)CC)C(C)CC)C

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found in taxon

Phellodon niger

1 reference

stated in

Cyathane diterpenoids and nitrogenous terphenyl derivative from the fruiting bodies of basidiomycete Phellodon niger

Identifiers

InChI

InChI=1S/C39H60N2O15/c1-10-19(3)32-37(47)41(49)39(20(4)11-2,38(48)40(32)50-9)55-29-18-26(14-17-28(29)56-41)31-35(53-23(7)44)33(51-21(5)42)30(25-12-15-27(46)16-13-25)34(52-22(6)43)36(31)54-24(8)45/h19-20,25-31,33-36,46-47H,10-18H2,1-9H3

0 references

InChIKey

DVWTZECRCSFKQG-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVWTZECRCSFKQG-UHFFFAOYSA-N

(Q103818743)

[2,4,5-Triacetyloxy-3-[10,13-di(butan-2-yl)-14-hydroxy-12-methoxy-1-oxido-11-oxo-2,9-dioxa-12-aza-1-azoniatricyclo[8.4.0.03,8]tetradec-13-en-6-yl]-6-(4-hydroxycyclohexyl)cyclohexyl] acetate

Statements

Identifiers

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