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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:36485 - lupane
Main
ChEBI Ontology
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ChEBI Name
lupane
ChEBI ID
CHEBI:36485
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C30H52
Net Charge
0
Average Mass
412.73388
Monoisotopic Mass
412.40690
InChI
InChI=1S/C30H52/c1-
20(2)
21-
12-
16-
27(5)
18-
19-
29(7)
22(25(21)
27)
10-
11-
24-
28(6)
15-
9-
14-
26(3,4)
23(28)
13-
17-
30(24,29)
8/h20-
25H,9-
19H2,1-
8H3/t21-
,22+,23-
,24+,25+,27+,28-
,29+,30+/m0/s1
InChIKey
NKMDIWKRKQFYPH-VIUFNMEASA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@@]
4(C)
CCCC(C)
(C)
[C@]
4([H]
)
CC[C@@]
3(C)
[C@]
1(C)
CC[C@@]
1(C)
CC[C@@H]
(C(C)
C)
[C@]
21[H]
ChEBI Ontology
Outgoing
lupane (
CHEBI:36485
)
is a
terpenoid fundamental parent (
CHEBI:35662
)
lupane (
CHEBI:36485
)
is a
triterpene (
CHEBI:35191
)
Incoming
(20
R
)-28-hydroxylupen-30-al-3-one (
CHEBI:66045
)
has parent hydride
lupane (
CHEBI:36485
)
2α,3β,23-trihydroxylup-20(29)-en-28-oic acid (
CHEBI:67916
)
has parent hydride
lupane (
CHEBI:36485
)
2α,3β-dihydroxy-20(29)-lupen-28-oic acid (
CHEBI:67600
)
has parent hydride
lupane (
CHEBI:36485
)
2α,3β-dihydroxylup-20(29)-ene (
CHEBI:67954
)
has parent hydride
lupane (
CHEBI:36485
)
2-
O
-
E
-
p
-coumaroyl alphitolic acid (
CHEBI:65662
)
has parent hydride
lupane (
CHEBI:36485
)
20(29)-lupene-1β,3α-diol (
CHEBI:67598
)
has parent hydride
lupane (
CHEBI:36485
)
20(29)-lupene-1β,3β-diol (
CHEBI:67599
)
has parent hydride
lupane (
CHEBI:36485
)
23-Hydroxybetulinic acid (
CHEBI:69580
)
has parent hydride
lupane (
CHEBI:36485
)
3-(
Z
)-caffeoyllupeol (
CHEBI:65549
)
has parent hydride
lupane (
CHEBI:36485
)
3beta-O-cis-caffeoylbetulinic acid (
CHEBI:70670
)
has parent hydride
lupane (
CHEBI:36485
)
3beta-O-trans-caffeoylbetulinic acid (
CHEBI:70671
)
has parent hydride
lupane (
CHEBI:36485
)
betulin (
CHEBI:3086
)
has parent hydride
lupane (
CHEBI:36485
)
betulinic acid (
CHEBI:3087
)
has parent hydride
lupane (
CHEBI:36485
)
betulone (
CHEBI:67824
)
has parent hydride
lupane (
CHEBI:36485
)
dihydrobetulinic acid (
CHEBI:65485
)
has parent hydride
lupane (
CHEBI:36485
)
glochidone (
CHEBI:67596
)
has parent hydride
lupane (
CHEBI:36485
)
glochidonol (
CHEBI:67597
)
has parent hydride
lupane (
CHEBI:36485
)
lupenone (
CHEBI:67823
)
has parent hydride
lupane (
CHEBI:36485
)
lupeol (
CHEBI:6570
)
has parent hydride
lupane (
CHEBI:36485
)
IUPAC Name
lupane
Registry Numbers
Types
Sources
2562721
Beilstein Registry Number
Beilstein
464-99-3
CAS Registry Number
ChemIDplus
Last Modified
20 January 2014