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> Main
CHEBI:132341 - hypodiol
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ChEBI Name
hypodiol
ChEBI ID
CHEBI:132341
Definition
A pentacyclic triterpenoid with formula C
30
H
50
O
2
, originally isolated from
Tripterygium hypoglaucum
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C30H50O2
Net Charge
0
Average Mass
442.718
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/c1-
25(2)
13-
14-
27(5)
15-
16-
29(7)
19(20(27)
18-
25)
17-
21(31)
24-
28(6)
11-
10-
23(32)
26(3,4)
22(28)
9-
12-
30(24,29)
8/h21-
24,31-
32H,9-
18H2,1-
8H3/t21-
,22+,23+,24-
,27-
,28+,29-
,30-
/m1/s1
InChIKey
PLLRCYPRRCRXHG-KQCVGMHHSA-N
SMILES
O[C@H]
1[C@]
2([C@]
([C@]
3(C(=C4[C@@]
(CC3)
(CCC(C4)
(C)
C)
C)
C1)
C)
(CC[C@@]
5([C@@]
2(CC[C@H]
(O)
C5(C)
C)
C)
[H]
)
C)
[H]
Metabolite of Species
Details
Tripterygium hypoglaucum
(NCBI:txid205465)
See: Phytochemistry, 2000, 53, 715-722.
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hypodiol (
CHEBI:132341
)
has parent hydride
oleanane (
CHEBI:36481
)
hypodiol (
CHEBI:132341
)
has role
plant metabolite (
CHEBI:76924
)
hypodiol (
CHEBI:132341
)
is a
diol (
CHEBI:23824
)
hypodiol (
CHEBI:132341
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
hypodiol (
CHEBI:132341
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(3β,11α)-olean-13(18)-ene-3,11-diol
Synonyms
Sources
(-)-Hypodiol
KNApSAcK
3β,11α-dihydroxy-olean-13(18)-ene
ChEBI
olean-13(18)-ene-3β,11α-diol
ChEBI
Manual Xrefs
Databases
101936045
PubChem
C00037290
KNApSAcK
View more database links
Registry Numbers
Types
Sources
198129-86-1
CAS Registry Number
ChemIDplus
7828737
Reaxys Registry Number
Reaxys
Last Modified
24 October 2016