Molecular Structure:
CCD No.:CCD00783084
BENZYL URSOLATE
CAS No.:
192211-41-9
Formula:C37 H54 O3
MolWeight:546.831
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| Product Name： | BENZYL URSOLATE |
| CAS： | 192211-41-9 |
| English Synonyms： | 3-HYDROXY-(3BETA)-URS-12-EN-28-OIC ACID PHENYLMETHYL ESTER ; BENZYL URSOLATE ; (3BETA)-3-HYDROXY-URS-12-EN-28-OIC ACID PHENYLMETHYL ESTER |
| MDL Number.： | MFCD09752468 |
| H bond acceptor： | 3 |
| 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(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OCc6ccccc6 |
| InChi： | InChI=1S/C37H54O3/c1-24-15-20-37(32(39)40-23-26-11-9-8-10-12-26)22-21-35(6)27(31(37)25(24)2)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h8-13,24-25,28-31,38H,14-23H2,1-7H3/t24-,25+,28+,29-,30+,31+,34+,35-,36-,37+/m1/s1 |
| InChiKey： | InChIKey=FUFAPKOCRZYSHH-CVTBAMPXSA-N |
Basic Information
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