| CAS Number | 264624-38-6 |
| Catalog Number | AG00BD45(AGN-PC-0R2FHB) |
| Chemical Name | 27-Deoxyactein |
| EC Number | 607-941-1 |
| IUPAC Name | [(1R,1'R,3'R,4S,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate |
| InChI | InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1 |
| InChI Key | GCMGJWLOGKSUGX-RBKCHLQLSA-N |
| MDL Number | MFCD07783721 |
| Molecular Formula | C37H56O10 |
| Molecular Weight | 660.8345 |
| SMILES | C[C@](CO1)(O2)[C@@H]2[C@@]31O[C@@]4([H])C[C@@]5(C)[C@]6([H])CC[C@]7([H])[C@]8(CC[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9O)C7(C)C)[C@]6(C8)C[C@@H](OC(C)=O)[C@]5(C)[C@@]4([H])[C@H](C)C3 |
| UNII | 2D5AUV13AX |
| Synonyms | 26-deoxy-actein,
26-deoxyactein,
27-deoxyactein,
26-Deoxyactein,
27-Deoxyactein,
UNII-2D5AUV13AX,
2D5AUV13AX,
264624-38-6,
23-EPI-26-Deoxyactein,
SCHEMBL564106,
CHEBI:70242,
GCMGJWLOGKSUGX-RBKCHLQLSA-,
DTXSID20181062,
InChI=1/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30,
ZINC96086358,
beta-d-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanostan-3-yl,
J-016441,
ACN-056845,
CID10974362,
|