(Q105283474)

English

Cinnamic acid 3beta,5beta-diacetoxy-6beta-(hexanoyloxy)-4abeta,8beta,10,10-tetramethyl-8aalpha,2alpha-(epoxymethano)decalin-4beta-yl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

598.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₆O₉

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canonical SMILES

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

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isomeric SMILES

CCCCCC(=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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found in taxon

Celastrus orbiculatus

1 reference

stated in

Sesquiterpene Esters from the Fruits ofCelastrus orbiculatus

Identifiers

InChI

InChI=1S/C34H46O9/c1-8-9-11-16-27(37)41-26-19-21(2)34-20-25(32(5,6)43-34)29(39-22(3)35)31(33(34,7)30(26)40-23(4)36)42-28(38)18-17-24-14-12-10-13-15-24/h10,12-15,17-18,21,25-26,29-31H,8-9,11,16,19-20H2,1-7H3/b18-17+/t21-,25+,26+,29-,30+,31-,33+,34+/m1/s1

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InChIKey

VBSXWBFQEIEJIG-VGZYRXGISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBSXWBFQEIEJIG-VGZYRXGISA-N

1 reference

(Q105283474)

Cinnamic acid 3beta,5beta-diacetoxy-6beta-(hexanoyloxy)-4abeta,8beta,10,10-tetramethyl-8aalpha,2alpha-(epoxymethano)decalin-4beta-yl ester

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