Catalog Number:
AG00DE0L
Chemical Name:
Gamabufotalin
CAS Number:
465-11-2
Molecular Formula:
C24H34O5
Molecular Weight:
402.5238
MDL Number:
MFCD01740822
IUPAC Name:
5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
InChI:
InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1
InChI Key:
FMTLOAVOGWSPEF-KJRPADTMSA-N
SMILES:
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2c1ccc(=O)oc1)C)C
UNII:
5HH3KM165O
NSC Number:
90384
