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beta-seco-amyrin

Properties

Image

Occurences in reactions

MNX_ID

MNXM5075

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

formula

C₃₀H₅₀O

charge

mass

426.729

reference

chebi:63466

InChIKey

BVMWOSNBDNNUBA-NBANTFJXSA-N

InChI

InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1

SMILES

[CH3:1][C:20]1=[C:22]([CH2:10][CH2:11][C@H:23]2[C:21]([CH3:2])=[CH:9][CH2:12][C@H:25]3[C:28]([CH3:5])([CH3:6])[C@@H:26]([OH:31])[CH2:14][CH2:16][C@:30]23[CH3:8])[C@@H:24]2[CH2:19][C:27]([CH3:3])([CH3:4])[CH2:17][CH2:18][C@:29]2([CH3:7])[CH2:15][CH2:13]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63466 chebi:63466	beta-seco-amyrin (2S,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-{2-[(4aR,8aR)-2,4a,7,7-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-secooleana-7,13-diene-3beta-ol
kegg.compound:C20193 keggC:C20193	beta-seco-Amyrin 8,14-Secooleana-7,13-diene-3beta-ol
seed.compound:cpd21426 seedM:cpd21426	beta-seco-Amyrin 8,14-Secooleana-7,13-diene-3beta-ol beta-seco-amyrin
metacyc.compound:CPD-13883 metacycM:CPD-13883 seed.compound:cpd29073 seedM:cpd29073	beta-seco-amyrin
keggC:M_C20193 seedM:M_cpd21426 seedM:M_cpd29073	secondary/obsolete/fantasy identifier