
CAS Number27994-11-2
SynonymsNCGC00091911-01; Cimicifugoside; (2S,3R,4S,5R)-2-{[(4aR,5aR,7aR,8R,12aR,14aR)-4'-hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl]oxy}tetrahydr
Molecular FormulaC35H52O9
Molecular Weight620.81
Purity≥98.0 (HPLC)%
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 27994-11-2 |
| Catalog No. | 2A-9067084 |
| Synonyms | NCGC00091911-01; Cimicifugoside; (2S,3R,4S,5R)-2-{[(4aR,5aR,7aR,8R,12aR,14aR)-4'-hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl]oxy}tetrahydr |
| Molecular Formula | C35H52O9 |
| Molecular Weight | 620.81 |
| Purity | ≥98.0 (HPLC) |
| SMILES | O1[C@H]([C@@H]([C@H]([C@@H](C1)O)O)O)OC2C([C@H]3[C@@]4([C@]5(C4)CC[C@]6([C@@](CC7OC8(OC(C9(OC98)C)O)C[C@H](C76)C)(C5=CC3)C)C)CC2)(C)C |
| InChI | 1S/C35H52O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h8,17-20,22-28,36-39H,7,9-16H2,1-6H3/t17-,18-,19?,20+,22?,23?,24+,25-,26+,27?,28?,30-,31+,32?,33-,34+,35?/m1/s1 |
| InChI Key | GQLUAQZLAZUHEL-NKMZKCBCSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/67084_1_27994_11_2.pdf |
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