IUPAC/Chemical Name
(3R,3aR,4R,5aS,7aS,9R,11aR,11bS,13aS)-9-(((2S,3S,4R,5R)-3-(((2R,3R,4R,5S,6S)-5-(((2S,3S,4S,5S,6R)-4-(((2S,3S,4S,5S)-3,5-dihydroxy-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-3-(((2S,3S,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-5-(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5a,8,8,11a-pentamethyl-3-((E)-4-methylpenta-1,3-dien-1-yl)-1-oxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-1H,3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-4-yl acetate
InChi Key
XPXZTNUAIBRUOQ-IGJXXCHCSA-N
InChi Code
InChI=1S/C60H92O29S/c1-25(2)12-11-17-59(9)49-32(81-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(72)88-59)83-53-47(39(67)34(24-79-53)89-90(73,74)75)87-54-48(86-50-40(68)37(65)30(63)22-77-50)41(69)44(26(3)80-54)84-52-43(71)46(38(66)33(21-61)82-52)85-51-42(70)45(76-10)31(64)23-78-51/h11-13,17,26,28,30-54,61,63-71H,14-16,18-24H2,1-10H3,(H,73,74,75)/b17-11+/t26-,28+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42-,43-,44+,45-,46-,47-,48+,49+,50-,51-,52-,53-,54+,57+,58-,59+,60+/m0/s1
SMILES Code
O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@H](O[C@@H]4CC[C@]5(C)[C@@H]6CC[C@@]78[C@@](C)(C[C@H]([C@@H]7[C@@](C)(/C=C/C=C(C)/C)OC8=O)OC(C)=O)C6=CC[C@@H]5C4(C)C)OC[C@H]([C@@H]3O)OS(O)(=O)=O)[C@H](O[C@@H]9OC[C@H](O)[C@H](O)[C@@H]9O)[C@@H]2O)[C@@H](O)[C@H]1O[C@H]%10[C@@H](O)[C@@H](OC)[C@@H](O)CO%10
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00