(Q105117742)

English

[(1S,2R,5S,6S,7S,8R,9S)-5,8-diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5,8-Diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

516.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,5S,6S,7S,8S,9S)-5,8-diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₉

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2CC3(OC2(C)C)C(C)CCC(OC(=O)C)C13COC(=O)C)C=4C=CC=CC4

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@H](C)[C@@]13C[C@@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1ccccc1)C(C)(C)O3

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found in taxon

Celastrus angulatus

1 reference

stated in

A sesquiterpene from Celastrus rosthorniastrus

Identifiers

InChI

InChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)24(36-25(32)20-10-8-7-9-11-20)23(35-19(4)31)21-14-28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23-,24-,27+,28+/m1/s1

0 references

InChIKey

IQDZWOJJMIPGTJ-LBGIHMOESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IQDZWOJJMIPGTJ-LBGIHMOESA-N

(Q105117742)

[(1S,2R,5S,6S,7S,8R,9S)-5,8-diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

Statements

Identifiers

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