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

Properties

Image

Occurences in reactions

MNX_ID

MNXM97456

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₄₈O₂

charge

mass

440.36543

reference

chebi:177424

InChIKey

FELCJAPFJOPHSD-ROUWMTJPSA-N

InChI

InChI=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

SMILES

C=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177424 chebi:177424	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	betulin aldehyde betulinal betulinic aldehyde betunal
metacyc.compound:CPD-14492 metacycM:CPD-14492	betulinic aldehyde betulin aldehyde betulinal betunal
seedM:M_cpd35849	secondary/obsolete/fantasy identifier