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CHEBI:141820 - 3β-hydroxy-15,16-epoxydolabrene
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ChEBI Ontology
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ChEBI Name
3β-hydroxy-15,16-epoxydolabrene
ChEBI ID
CHEBI:141820
ChEBI ASCII Name
3beta-hydroxy-15,16-epoxydolabrene
Definition
A tricyclic diterpenoid that is 15,16-epoxydolabrene in which the
pro
-
S
hydrogen at position 3 has been replaced by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C20H32O2
Net Charge
0
Average Mass
304.468
Monoisotopic Mass
304.24023
InChI
InChI=1S/C20H32O2/c1-
13-
15(21)
5-
6-
16-
19(13,3)
8-
7-
14-
11-
18(2,17-
12-
22-
17)
9-
10-
20(14,16)
4/h14-
17,21H,1,5-
12H2,2-
4H3/t14-
,15+,16-
,17?,18+,19-
,20-
/m1/s1
InChIKey
JPGKQPWEFBWKDM-XVMBTQODSA-N
SMILES
[C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C([C@H](CC3)O)=C)C)[H])C
ChEBI Ontology
Outgoing
3β-hydroxy-15,16-epoxydolabrene (
CHEBI:141820
)
has functional parent
15,16-epoxydolabrene (
CHEBI:141821
)
3β-hydroxy-15,16-epoxydolabrene (
CHEBI:141820
)
is a
epoxide (
CHEBI:32955
)
3β-hydroxy-15,16-epoxydolabrene (
CHEBI:141820
)
is a
secondary allylic alcohol (
CHEBI:134396
)
3β-hydroxy-15,16-epoxydolabrene (
CHEBI:141820
)
is a
tricyclic diterpenoid (
CHEBI:79084
)
IUPAC Name
(2
S
,4a
S
,4b
R
,7
S
,8a
R
,10a
S
)-
4b,7,10a-
trimethyl-
1-
methylidene-
7-
[(2Ξ)-
oxiran-
2-
yl]tetradecahydrophenanthren-
2-
ol
Synonym
Source
3β-hydroxy-15,16-epoxydolabrene
UniProt
Manual Xref
Database
CPD-21267
MetaCyc
View more database links
Citation
Type
Source
29475898
PubMed citation
SUBMITTER
Last Modified
05 October 2018