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Amb21855697

Duplicate ID
Molecule Name Betulinic acid (Mairin; Gratiolone; Platanol)
betulinic acid
SmilesCC1(C)[C@@H]2CC[C@]3(C)C(CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(O)=O)C(C)=C)[C@@]2(C)CC[C@@H]1O
InchiKeyQGJZLNKBHJESQX-UXDSDIQSSA-N
InChi InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22?,23-,24+,27-,28+,29+,30-/m0/s1
Formula C30H48O3
Molecular weight 456.7
Rings 5
logP 7.0895
PSA 57.53
MR 136.914
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