514-21-6
3BETA,14,16BETA-TRIHYDROXY-5BETA-CARD-20(22)-ENOLIDE 16-FORMATE
Name3BETA,14,16BETA-TRIHYDROXY-5BETA-CARD-20(22)-ENOLIDE 16-FORMATE
1Identification
【Name】
3BETA,14,16BETA-TRIHYDROXY-5BETA-CARD-20(22)-ENOLIDE 16-FORMATE
【CAS】
【MDL】
MFCD01740263
【English Synonyms】
【Formula】
C24 H34 O6
【MolWeight】
418.527
【Inchi】
InChI=1S/C24H34O6/c1-22-7-5-16(26)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(30-13-25)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3/t15-,16+,17+,18-,19+,21+,22+,23-,24+/m1/s1
【InChIKey】
InChIKey=WPPUBSWJDJKYDK-QDLCSJEJSA-N
【SMILES】
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)OC=O)O)C)O
【MOL File】
3BETA,14,16BETA-TRIH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3BETA,14,16BETA-TRIHYDROXY-5BETA-CARD-20(22)-ENOLIDE 16-FORMATE.cml