(Q105249040)

English

(2,5,7,9-Tetraacetyloxy-10-benzoyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-11-yl) pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₄₁H₄₇NO₁₅

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Statements

instance of

group of stereoisomers

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subclass of

jatrophane diterpenoid

1 reference

inferred from

jatrophane diterpenoid

1 reference

793.294569804 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₇NO₁₅

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canonical SMILES

O=C(OC1C(OC(=O)C)C(=C)C(OC(=O)C)C2C(OC(=O)C)C(C)CC2(OC(=O)C)C3(O)OC(C(=O)C3C)C(C)(C)C1OC(=O)C=4C=NC=CC4)C=5C=CC=CC5

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Identifiers

InChI

InChI=1S/C41H47NO15/c1-20-18-40(56-26(7)46)29(31(20)51-23(4)43)32(52-24(5)44)21(2)33(53-25(6)45)34(54-37(48)27-14-11-10-12-15-27)36(55-38(49)28-16-13-17-42-19-28)39(8,9)35-30(47)22(3)41(40,50)57-35/h10-17,19-20,22,29,31-36,50H,2,18H2,1,3-9H3

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InChIKey

SAPRIFGFGXNNHU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SAPRIFGFGXNNHU-UHFFFAOYSA-N

(Q105249040)

(2,5,7,9-Tetraacetyloxy-10-benzoyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-11-yl) pyridine-3-carboxylate

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