(1'R,2S,4'S,5R,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1^4,8.0^20,24 ]pentacosa[10,14,16,22]tetraen]-12'-yl 4-O-[(4ξ)-4-acetamido-2,4,6-trideoxy-3-O-methyl-α-L-threo-hexopyranosyl]-2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranoside - (1'R,2S,4'S,5R,6S,8'R,10'Z ,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2R)-2-butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1^4,8.0^20,24]pentacosa[10,14,16,22] tetraen]-12'-yl 4-O-[(4ξ)-4-acetamido-2,4,6-trideoxy-3-O-methyl-α-L-threo-hexopyranosyl]-2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranoside (1:1)

More details:

• Systematic name

  (1'R,2S,4'S,5R,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24 ~]pentacosa[10,14,16,22]tetraen]-12'-yl 4-O-[(4xi)-4-acetamido-2,4,6-trideoxy-3-O-methyl-alpha-L-threo-hexopyranosyl]-2,6-dideoxy-3-O-methyl-alpha-D-arabino-hexopyranoside - (1'R,2S,4'S,5R,6S,8'R,10'Z ,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2R)-2-butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22] tetraen]-12'-yl 4-O-[(4xi)-4-acetamido-2,4,6-trideoxy-3-O-methyl-alpha-L-threo-hexopyranosyl]-2,6-dideoxy-3-O-methyl-alpha-D-arabino-hexopyranoside (1:1)

• SMILES

  CC(C)[C@@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@@H](OC)[C@H](O[C@H]5C[C@H](OC)C(NC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@H]1C.CC[C@@H](C)[C@@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@@H](OC)[C@H](O[C@H]5C[C@H](OC)C(NC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@H]1C |c:43,114,t:11,82|

• Std. InChi

  InChI=1S/C50H75NO14.C49H73NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52;1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52);12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b14-13-,28-16-,34-15-;13-12-,27-15-,33-14-/t26-,27+,29-,31+,32-,35-,36+,37+,38+,39-,40+,41-,42?,43-,44+,45+,46-,47-,49-,50-;26-,28+,30-,31+,34+,35-,36-,37-,38+,39-,40+,41?,42+,43-,44-,45+,46+,48+,49+/m10/s1

• Std. InChIKey

  VBPOFUHCXIRECN-QCKASHBBSA-N

• Cite this record

  CSID:75531275, http://www.chemspider.com/Chemical-Structure.75531275.html (accessed 05:59, Apr 18, 2024)