(Q104970950)

English

(1S,3R,5S,7S,8R)-5-benzoyl-8-[(2R)-3,3-dimethyloxiran-2-yl]-6,6-dimethyl-1,3-bis(3-methylbut-2-enyl)adamantane-2,4,9-trione

chemical compound

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instance of

type of chemical entity

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subclass of

5-Benzoyl-8-(3,3-dimethyloxiran-2-yl)-6,6-dimethyl-1,3-bis(3-methylbut-2-enyl)adamantane-2,4,9-trione

1 reference

based on heuristic

inferred from SMILES

mass

516.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,5S,7S,8S)-5-benzoyl-8-[(2R)-3,3-dimethyloxiran-2-yl]-6,6-dimethyl-1,3-bis(3-methylbut-2-enyl)adamantane-2,4,9-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₅

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(C(=O)C(C2=O)(CC=C(C)C)C(C5OC5(C)C)C(C4)C3(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@@]12C[C@H]3[C@@H]([C@H]4OC4(C)C)[C@@](CC=C(C)C)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C

0 references

found in taxon

Clusia obdeltifolia

1 reference

stated in

Polyisoprenylated benzophenone derivatives from Clusia obdeltifolia

Clusia havetioides var. stenocarpa

1 reference

stated in

Prenylated benzophenone derivatives from Clusia havetiodes var. stenocarpa

Identifiers

InChI

InChI=1S/C33H40O5/c1-19(2)14-16-31-18-22-23(25-30(7,8)38-25)32(26(31)35,17-15-20(3)4)28(37)33(27(31)36,29(22,5)6)24(34)21-12-10-9-11-13-21/h9-15,22-23,25H,16-18H2,1-8H3/t22-,23-,25+,31+,32-,33+/m0/s1

0 references

InChIKey

CVRGNVXISHMROR-MXRQJFMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVRGNVXISHMROR-MXRQJFMFSA-N

(Q104970950)

(1S,3R,5S,7S,8R)-5-benzoyl-8-[(2R)-3,3-dimethyloxiran-2-yl]-6,6-dimethyl-1,3-bis(3-methylbut-2-enyl)adamantane-2,4,9-trione

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