(Q105202718)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

500.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

1 reference

C₃₃H₄₀O₄

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canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(C(=O)C(C2=O)(CC=C(C)C)C(C=C(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=C(C)C)[C@@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C

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found in taxon

Clusia plukenetii

1 reference

stated in

Plukenetione A. An unusual adamantyl ketone from Clusia plukenetii (guttiferae)

Identifiers

InChI

InChI=1S/C33H40O4/c1-20(2)14-16-31-19-25-24(18-22(5)6)32(27(31)35,17-15-21(3)4)29(37)33(28(31)36,30(25,7)8)26(34)23-12-10-9-11-13-23/h9-15,18,24-25H,16-17,19H2,1-8H3/t24-,25+,31-,32+,33+/m1/s1

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InChIKey

OXIJJPXPEHKVOL-AWNPRYJASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OXIJJPXPEHKVOL-AWNPRYJASA-N

(Q105202718)

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

Statements

Identifiers

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