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ChEBI
> Main
CHEBI:52318 - thalianol epoxide
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ChEBI Ontology
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ChEBI Name
thalianol epoxide
ChEBI ID
CHEBI:52318
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Secondary ChEBI IDs
CHEBI:58889
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Formula
C30H50O2
Net Charge
0
Average Mass
442.71680
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/c1-
20(12-
15-
26-
28(5,6)
32-
26)
10-
9-
11-
21(2)
29(7)
18-
16-
23-
22(29)
13-
14-
24-
27(3,4)
25(31)
17-
19-
30(23,24)
8/h10,21,24-
26,31H,9,11-
19H2,1-
8H3/b20-
10+/t21-
,24+,25+,26?,29-
,30-
/m1/s1
InChIKey
XKTXMMLYQVPCBO-JJDXWHOQSA-N
SMILES
[H][C@@]12CCC3=C(CC[C@]3(C)[C@H](C)CC\C=C(/C)CCC3OC3(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
ChEBI Ontology
Outgoing
thalianol epoxide (
CHEBI:52318
)
has functional parent
thalianol (
CHEBI:52317
)
thalianol epoxide (
CHEBI:52318
)
is a
epoxide (
CHEBI:32955
)
IUPAC Name
(3
R
,5a
R
,7
S
,9a
S
)-
3-
[(2
R
,5
E
)-
8-
(3,3-
dimethyloxiran-
2-
yl)-
6-
methyloct-
5-
en-
2-
yl]-
3,6,6,9a-
tetramethyl-
2,3,4,5,5a,6,7,8,9,9a-
decahydro-
1
H
-
cyclopenta[
a
]naphthalen-
7-
ol
Last Modified
03 May 2018