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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:141821 - 15,16-epoxydolabrene
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ChEBI Ontology
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ChEBI Name
15,16-epoxydolabrene
ChEBI ID
CHEBI:141821
Definition
A tricyclic diterpenoid that is dolabradiene in which vinyl substituent has undergone oxidation to give the corresponding epoxide.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C20H32O
Net Charge
0
Average Mass
288.468
Monoisotopic Mass
288.24532
InChI
InChI=1S/C20H32O/c1-
14-
6-
5-
7-
16-
19(14,3)
9-
8-
15-
12-
18(2,17-
13-
21-
17)
10-
11-
20(15,16)
4/h15-
17H,1,5-
13H2,2-
4H3/t15-
,16-
,17?,18+,19-
,20-
/m1/s1
InChIKey
MDUIQYUVECBDRX-LBNFNQNDSA-N
SMILES
[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C(CCC3)=C)C)[H])C
ChEBI Ontology
Outgoing
15,16-epoxydolabrene (
CHEBI:141821
)
has functional parent
dolabradiene (
CHEBI:141822
)
15,16-epoxydolabrene (
CHEBI:141821
)
is a
epoxide (
CHEBI:32955
)
15,16-epoxydolabrene (
CHEBI:141821
)
is a
olefinic compound (
CHEBI:78840
)
15,16-epoxydolabrene (
CHEBI:141821
)
is a
tricyclic diterpenoid (
CHEBI:79084
)
Incoming
3β-hydroxy-15,16-epoxydolabrene (
CHEBI:141820
)
has functional parent
15,16-epoxydolabrene (
CHEBI:141821
)
IUPAC Name
(2Ξ)-
2-
[(2
S
,4a
R
,4b
S
,8a
S
,10a
R
)-
2,4a,8a-
trimethyl-
8-
methylenetetradecahydrophenanthren-
2-
yl]oxirane
Synonym
Source
15,16-epoxydolabrene
UniProt
Manual Xref
Database
CPD-21266
MetaCyc
View more database links
Citation
Type
Source
29475898
PubMed citation
SUBMITTER
Last Modified
05 October 2018