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oryzalexin D

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1371220

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

formula

C₂₀H₃₂O₂

charge

mass

304.474

reference

chebi:78256

InChIKey

HRWWBCRSPUEXDM-XTMWUNHTSA-N

InChI

InChI=1S/C20H32O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14-17,21-22H,1,7-11H2,2-5H3/t14-,15+,16-,17-,19-,20+/m1/s1

SMILES

[CH2:1]=[CH:6][C@:19]1([CH3:4])[CH2:9][CH2:7][C@@H:14]2[C:13](=[CH:12]1)[C@@H:15]([OH:21])[CH2:11][C@@H:16]1[C:18]([CH3:2])([CH3:3])[C@H:17]([OH:22])[CH2:8][CH2:10][C@@:20]21[CH3:5]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78256 chebi:78256	oryzalexin D (3alpha,5beta,7beta,9beta,10alpha)-pimara-8(14),15-diene-3,7-diol 3alpha,7beta-dihydroxy-ent-sandaracopimaradiene ent-sandaracopimaradien-3alpha,7beta-diol
hmdb:HMDB0302102	Oryzalexin D (2R,4aR,4bS,7S,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,9-diol (2R,4aR,4bS,7S,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,9-diol 3a,7b-Dihydroxy-ent-sandaracopimaradiene 3alpha,7beta-Dihydroxy-ent-sandaracopimaradiene 3alpha,7beta-dihydroxy-ent-sandaracopimaradiene ent-Sandaracopimaradien-3a,7b-diol ent-Sandaracopimaradien-3alpha,7beta-diol
kegg.compound:C21562 keggC:C21562	Oryzalexin D ent-Sandaracopimaradiene-3beta,7alpha-diol
seed.compound:cpd35993 seedM:cpd35993	oryzalexin D
keggC:M_C21562 seedM:M_cpd35993	secondary/obsolete/fantasy identifier