(Q105374916)

English

[(1S,2R,5S,6S,7S,8S,9R,12R)-5,8,12-triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

5,8,12-tris(acetyloxy)-2,6,10,10-tetramethyl-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

1 reference

C₂₈H₃₆O₉

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canonical SMILES

O=C(OC1C(OC(=O)C)C2C(OC(=O)C)C3(OC2(C)C)C(C)CCC(OC(=O)C)C13C)C=4C=CC=CC4

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@]2(C)[C@@H](OC(C)=O)CC[C@@H](C)[C@]23OC(C)(C)[C@H]1[C@H]3OC(C)=O

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found in taxon

Celastrus gemmata

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stated in

Sesquiterpenoids from Celastrus gemmatus

Celastrus gemmatus

1 reference

stated in

Sesquiterpenoids from Celastrus gemmatus

Identifiers

InChI

InChI=1S/C28H36O9/c1-15-13-14-20(33-16(2)29)27(7)24(36-25(32)19-11-9-8-10-12-19)22(34-17(3)30)21-23(35-18(4)31)28(15,27)37-26(21,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20+,21-,22+,23-,24-,27+,28-/m1/s1

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InChIKey

ZFYHVMQCJIKTLP-VQABVFRHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105374916)

[(1S,2R,5S,6S,7S,8S,9R,12R)-5,8,12-triacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

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Identifiers

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