12-Ethoxynimbolinin C

Datasheet MSDS
Catalog Number
ANC04110
Product Name
12-Ethoxynimbolinin C
CAS Number
1019854-61-5
IUPAC Name
[(1S,2S,4S,8S,11S,12R,13S,16S,17S,19R,20S)-4-ethoxy-8-(furan-3-yl)-12,17-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate
Synonyms
2-?Butenoicacid,2-?methyl-?,(2R,?3aS,?5R,?6aR,?6bR,?7S,?9R,?9aR,?11aR,?12S,?12aR)?-?5-?ethoxy-?2-?(3-?furanyl)?-?3,?3a,?5,?6,?6a,?6b,?7,?8,?9,?9a,?10,?11a,?12,?12a-?tetradecahydro-?9,?12-?dihydroxy-?1,?6b,?9a,?12a-?tetramethyl-?2H,?5H-?cyclopent[a]?isobenzofuro[7,?1-?gh]?[3]?benzoxepin-?7-?ylester,(2E)?-
Molecular Formula
C33H46O8
Molecular Weight
570.71
Appearance
Solid Powder
Purity
>98%
Density
1.24±0.1g/cm3
Solubility
Soluble in DMSO
Boiling Point
667.5±55.0°C|Condition: Press: 760 Torr
Storage
Store in a cool and dry place and at 0-4°C for short term (days to weeks) or -42°C for long term (months to years).
SMILES
CCO[C@@H]1C[C@H]2[C@@]3([C@@H](C[C@@H]([C@]4([C@H]3[C@@H]([C@@H]([C@@]2(C5=C([C@H](CC5O1)C6=COC=C6)C)C)O)OC4)C)O)OC(=O)/C(=C/C)/C)C
InChI
InChI=1S/C33H46O8/c1-8-17(3)30(36)41-24-14-23(34)31(5)16-39-27-28(31)32(24,6)22-13-25(38-9-2)40-21-12-20(19-10-11-37-15-19)18(4)26(21)33(22,7)29(27)35/h8,10-11,15,20-25,27-29,34-35H,9,12-14,16H2,1-7H3/b17-8+/t20-,21?,22-,23-,24+,25-,27-,28+,29-,31-,32+,33-/m0/s1
InChI Key
RBDLKNGZMWJUCW-MEHYOUCFSA-N
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