2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID

CAS No.
89786-83-4
CCD No.
CCD00606928
Formula
C30 H48 O5
MolWeight
488.704

Basic Information

Product Name: 2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID
CAS: 89786-83-4
English Synonyms: TRIHYDROXYURSENOIC ACID ; 2A,3A,24-TRIHYDROXY-12-URSEN-28-OIC ACID ; PYGENIC ACID B ; 2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID
MDL Number.: MFCD07779128
H bond acceptor: 5
H bond donor: 4
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]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChi: InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1
InChiKey: InChIKey=JXSVIVRDWWRQRT-UMCOSQRYSA-N

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