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alpha-seco-amyrin

Properties

Image

Occurences in reactions

MNX_ID

MNXM5054

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

formula

C₃₀H₅₀O

charge

mass

426.38617

reference

chebi:63464

InChIKey

BMTRRCREWLAQBX-CHJNBIAGSA-N

InChI

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

SMILES

CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63464 chebi:63464	alpha-seco-amyrin (2S,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-{2-[(4aR,7R,8S,8aR)-2,4a,7,8-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol 8,14-secoursa-7,13-diene-3beta-ol
kegg.compound:C20191 keggC:C20191	alpha-seco-Amyrin 8,14-Secoursa-7,13-diene-3beta-ol
seed.compound:cpd21424 seedM:cpd21424	alpha-seco-Amyrin 8,14-Secoursa-7,13-diene-3beta-ol alpha-seco-amyrin
metacyc.compound:CPD-13882 metacycM:CPD-13882 seed.compound:cpd29079 seedM:cpd29079	alpha-seco-amyrin
keggC:M_C20191 seedM:M_cpd21424 seedM:M_cpd29079	secondary/obsolete/fantasy identifier