89786-83-4
2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID
Name2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID
1Identification
【Name】
2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID
【CAS】
【MDL】
MFCD07779128
【English Synonyms】
【Formula】
C30 H48 O5
【MolWeight】
488.704
【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
【SMILES】
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
【MOL File】
2,3,24-TRIHYDROXY-12….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2,3,24-TRIHYDROXY-12-URSEN-28-OIC ACID.cml