2,3-O-DIACETYLCOROSOLIC ACID

CAS No.
57498-76-7
CCD No.
CCD00783041
Formula
C34 H52 O6
MolWeight
556.779

Basic Information

Product Name: 2,3-O-DIACETYLCOROSOLIC ACID
CAS: 57498-76-7
English Synonyms: 2,3-O-DIACETYLCOROSOLIC ACID ; 2,3-BIS(ACETYLOXY)-(2ALPHA,3BETA)-URS-12-EN-28-OIC ACID ; (2A,3BETA)-2,3-BIS(ACETYLOXY)-URS-12-EN-28-OIC ACID
MDL Number.: MFCD09752423
H bond acceptor: 6
H bond donor: 1
Smile: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChi: InChI=1S/C34H52O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19-20,24-28H,11-18H2,1-9H3,(H,37,38)/t19-,20+,24-,25+,26-,27+,28+,31+,32-,33-,34+/m1/s1
InChiKey: InChIKey=LHSSNRACHZBMIY-JPEWKLRBSA-N

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