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daturadiol

PropertiesImageOccurences in reactions
MNX_IDMNXM1380278Image of MNXM1380278
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC30H50O2
charge0
mass442.728
referencemetacycM:CPD-20244
InChIKeyJYNBNJRQZZSLPN-UHFFFAOYSA-N
InChIInChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3
SMILES[CH3:1][C:25]1([CH3:2])[CH2:13][CH2:14][C:27]2([CH3:5])[CH2:15][CH2:16][C:29]3([CH3:7])[C:19](=[CH:9][CH2:10][CH:22]4[C:28]5([CH3:6])[CH2:12][CH2:11][CH:23]([OH:32])[C:26]([CH3:3])([CH3:4])[CH:24]5[CH:21]([OH:31])[CH2:18][C:30]43[CH3:8])[CH:20]2[CH2:17]1
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-20244
metacycM:CPD-20244
daturadiol
6beta-hydroxy-beta-amyrin
olean-12-ene-3beta,6beta-diol