(Q105292626)

English

[(1S,2R,4S,5R,6S,7S,8R,9S)-4,5,8-triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] (E)-3-phenylprop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

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(4,5,8-Triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

542.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₉

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canonical SMILES

O=C(OC1C(OC(=O)C)C2CC3(OC2(C)C)C(C)CC(OC(=O)C)C(OC(=O)C)C13C)C=CC=4C=CC=CC4

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H]([C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)C(C)(C)O3

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Celastrus orbiculatus

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Sesquiterpene Esters from the Fruits ofCelastrus orbiculatus

Identifiers

InChI=1S/C30H38O9/c1-17-15-23(35-18(2)31)26(37-20(4)33)29(7)27(38-24(34)14-13-21-11-9-8-10-12-21)25(36-19(3)32)22-16-30(17,29)39-28(22,5)6/h8-14,17,22-23,25-27H,15-16H2,1-7H3/b14-13+/t17-,22+,23+,25-,26+,27-,29+,30+/m1/s1

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VSZSTORHOAVFPD-JOAJMWHZSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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