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alpha-amyrin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4443

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₃₀H₅₀O

charge

mass

426.38617

reference

chebi:10213

InChIKey

FSLPMRQHCOLESF-SFMCKYFRSA-N

InChI

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1

SMILES

C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10213 chebi:10213	alpha-amyrin (3beta)-urs-12-en-3-ol 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol 5alpha-urs-12-en-3beta-ol alpha-Amyrin alpha-amyrenol alpha-amyrine urs-12-ene-3beta-ol viminalol
kegg.compound:C08615 keggC:C08615 lipidmaps:LMPR0106170001 lipidmapsM:LMPR0106170001	alpha-Amyrin
seed.compound:cpd05522 seedM:cpd05522	alpha-Amyrin (3beta)-urs-12-en-3-ol 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol 5alpha-urs-12-en-3beta-ol alpha-Amyrenol alpha-amyrenol alpha-amyrin alpha-amyrine viminalol
metacyc.compound:CPD-8250 metacycM:CPD-8250	alpha-amyrin (3beta)-urs-12-en-3-ol 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol 5alpha-urs-12-en-3beta-ol alpha-amyrenol alpha-amyrine viminalol
keggC:M_C08615 seedM:M_cpd05522	secondary/obsolete/fantasy identifier