Search MNXref
 Feedback

Lup-20(29)-en-28-al, 3beta-hydroxy-

PropertiesImage
MNX_IDMNXM97456 Image of MNXM97456
referencechebi:177424
formulaC30H48O2
global charge0
mol weight440.712
InChIKeyFELCJAPFJOPHSD-ROUWMTJPSA-N
InChIInChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
SMILESC=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
MNX internals
InChI (mnx)InChI=1/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 Image of MNXM97456
SMILES (mnx)[CH2:1]=[C:19]([CH3:2])[C@@H:20]1[CH2:10][CH2:15][C@:30]2([CH:18]=[O:31])[CH2:17][CH2:16][C@:28]3([CH3:6])[C@H:21]([CH2:8][CH2:9][C@@H:23]4[C@@:27]5([CH3:5])[CH2:13][CH2:12][C@H:24]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:11][CH2:14][C@:29]43[CH3:7])[C@@H:25]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177424
chebi:177424
FELCJAPFJOPHSD-ROUWMTJPSA-N 		Lup-20(29)-en-28-al, 3beta-hydroxy-
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde

seed.compound:cpd35849
seedM:cpd35849
FELCJAPFJOPHSD-ROUWMTJPSA-N 		betulin aldehyde
betulinal
betulinic aldehyde
betunal

metacyc.compound:CPD-14492
metacycM:CPD-14492
FELCJAPFJOPHSD-ROUWMTJPSA-N 		betulinic aldehyde
betulin aldehyde
betulinal
betunal

seedM:M_cpd35849 		secondary/obsolete/fantasy identifier