Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:62735 - lupan-3β,20-diol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
lupan-3β,20-diol
ChEBI ID
CHEBI:62735
ChEBI ASCII Name
lupan-3beta,20-diol
Definition
A pentacyclic triterpenoid that is lupane in which the hydrogens at the 3β and 20 positions are substituted by hydroxy groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H52O2
Net Charge
0
Average Mass
444.73270
Monoisotopic Mass
444.39673
InChI
InChI=1S/C30H52O2/c1-
25(2)
21-
12-
16-
30(8)
22(28(21,6)
15-
13-
23(25)
31)
10-
9-
20-
24-
19(26(3,4)
32)
11-
14-
27(24,5)
17-
18-
29(20,30)
7/h19-
24,31-
32H,9-
18H2,1-
8H3/t19-
,20-
,21+,22-
,23+,24-
,27-
,28+,29-
,30-
/m1/s1
InChIKey
YDNYDUBBAZTLTQ-LIVJDELJSA-N
SMILES
[H]
[C@]
1(CC[C@]
2(C)
CC[C@]
3(C)
[C@]
([H]
)
(CC[C@]
4([H]
)
[C@@]
5(C)
CC[C@H]
(O)
C(C)
(C)
[C@]
5([H]
)
CC[C@@]
34C)
[C@@]
12[H]
)
C(C)
(C)
O
ChEBI Ontology
Outgoing
lupan-3β,20-diol (
CHEBI:62735
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
lupan-3β,20-diol (
CHEBI:62735
)
is a
secondary alcohol (
CHEBI:35681
)
lupan-3β,20-diol (
CHEBI:62735
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(3β)-lupane-3,20-diol
Synonyms
Sources
3β,20-dihydroxylupane
MetaCyc
lupan-3β,20-diol
UniProt
Manual Xref
Database
CPD-6951
MetaCyc
View more database links
Registry Number
Type
Source
2541314
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10930257
PubMed citation
Europe PMC
16445885
PubMed citation
Europe PMC
17107079
PubMed citation
Europe PMC
9883589
PubMed citation
Europe PMC
Last Modified
31 October 2012