52213-28-2
2,3-DIHYDROXY-(2ALPHA,3ALPHA)-URS-12-EN-28-OIC ACID METHYL ESTER
Name2,3-DIHYDROXY-(2ALPHA,3ALPHA)-URS-12-EN-28-OIC ACID METHYL ESTER
1Identification
【Name】
2,3-DIHYDROXY-(2ALPHA,3ALPHA)-URS-12-EN-28-OIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09752405
【English Synonyms】
【Formula】
C31 H50 O4
【MolWeight】
486.732
【Inchi】
InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25-,28+,29-,30-,31+/m1/s1
【InChIKey】
InChIKey=BRZWXKGDPAZBLF-ZLSCOBDWSA-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](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC
【MOL File】
2,3-DIHYDROXY-(2ALPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIHYDROXY-(2ALPHA,3ALPHA)-URS-12-EN-28-OIC ACID METHYL ESTER.cml