(Q105146122)

English

[(1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1'-acetyloxy-13'-(4-acetyloxyphenoxy)-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-11'-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1'-Acetyloxy-13'-(4-acetyloxyphenoxy)-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-11'-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

568.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₉

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canonical SMILES

O=C(OC1=CC=C(OC2C(C)CC3(OC(=O)C)C(=O)C(=CC4C(CCC5(OC5)C(OC(=O)C)C23)C4(C)C)C)C=C1)C

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isomeric SMILES

CC(=O)Oc1ccc(O[C@H]2[C@@H](C)C[C@]3(OC(C)=O)C(=O)/C(C)=C/[C@@H]4[C@H](CC[C@@]5(CO5)[C@@H](OC(C)=O)[C@@H]23)C4(C)C)cc1

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found in taxon

Macaranga tanarius

1 reference

stated in

Terpenoids and steroids from Macaranga tanarius

Identifiers

InChI

InChI=1S/C32H40O9/c1-17-14-25-24(30(25,6)7)12-13-31(16-37-31)29(39-20(4)34)26-27(18(2)15-32(26,28(17)36)41-21(5)35)40-23-10-8-22(9-11-23)38-19(3)33/h8-11,14,18,24-27,29H,12-13,15-16H2,1-7H3/b17-14+/t18-,24-,25+,26+,27-,29-,31+,32+/m0/s1

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InChIKey

KUFPLWNOBLGQAX-SHZGQSBMSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105146122)

[(1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1'-acetyloxy-13'-(4-acetyloxyphenoxy)-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-11'-yl] acetate

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Identifiers

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