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Isoarborinol

Properties

Image

Occurences in reactions

MNX_ID

MNXM57806

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

formula

C₃₀H₅₀O

charge

mass

426.38617

reference

chebi:80835

InChIKey

VWYANPOOORUCFJ-MBVQSDBHSA-N

InChI

InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1

SMILES

CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80835 chebi:80835 kegg.compound:C16973 keggC:C16973	Isoarborinol
seed.compound:cpd17244 seedM:cpd17244	Isoarborinol (+)-isoarborinol (3S,3aS,5aS,9R,11aS,13aR)-3-Isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-ol 3beta-arborinol D:C-friedo-B':A'-neogammacer-9(11)-en-3-ol, (3beta,8beta,13beta,14alpha,17beta,18alpha,21beta)- arborinol B isoarborinol
metacyc.compound:CPD-15243 metacycM:CPD-15243	isoarborinol (+)-isoarborinol (3S,3aS,5aS,9R,11aS,13aR)-3-Isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-ol 3beta-arborinol D:C-friedo-B':A'-neogammacer-9(11)-en-3-ol, (3beta,8beta,13beta,14alpha,17beta,18alpha,21beta)- arborinol B
keggC:M_C16973 seedM:M_cpd17244	secondary/obsolete/fantasy identifier