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Methyl 3b-Acetoxybetulinate
[CAS# 4356-30-3]

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CAS#: 4356-30-3
Product: Methyl 3b-Acetoxybetulinate
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Identification
Name Methyl 3b-Acetoxybetulinate
Synonyms Methyl 3-(Acetyloxy)Lup-20(29)-En-28-Oate (3Beta)-
Molecular Structure CAS#: 4356-30-3, Methyl 3b-Acetoxybetulinate
Molecular Formula C33H52O4
Molecular Weight 512.77
CAS Registry Number 4356-30-3
SMILES [C@@]35([C@]2([C@@H]([C@]1(CC[C@@H](C([C@@H]1CC2)(C)C)OC(=O)C)C)CC[C@@H]3[C@H]4[C@@H](CC[C@@]4(CC5)C(=O)OC)C(=C)C)C)C
InChI 1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/m0/s1
InChIKey FBSVHROTXUJUHS-ODLWIBRJSA-N
Properties
Density 1.068g/cm3 (Cal.)
Boiling point 536.827°C at 760 mmHg (Cal.)
Flash point 252.658°C (Cal.)
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