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10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene (non-preferred name) (19879-44-8;5096-71-9)
Identification
Name:
10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene (non-preferred name)
Synonyms:
AC1L82SV;(-)-O-Methylisothalicberine;THALICBERINE, O-METHYL;MolPort-000-775-751;5096-71-9;NSC269189;NSC374609;THALICBERINE,(-)-O-METHYLISO;NSC-269189;NSC-374609;NCI60_002192;19879-44-8
CAS:
19879-44-8;5096-71-9
Molecular Formula:
C
38
H
42
N
2
O
6
Molecular Weight:
622.7499
InChI:
InChI=1/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
Molecular Structure:
Properties
Flash Point:
175.8°C
Boiling Point:
710.5°C at 760 mmHg
Density:
1.172g/cm
3
Refractive index:
1.585
Flash Point:
175.8°C
Safety Data
Other Product
1/C33H42O7/c1-19-25-17-24-18-27(39-22(4)35)20(2)29(32(24,5)6)30(37)31(33(25,7)16-15-26(19)38-21(3)34)40-28(36)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s
1/C51H74N2/c1-5-9-13-17-21-49(22-18-14-10-6-2)42-53(43-50(23-19-15-11-7-3)24-20-16-12-8-4)51-39-37-47(38-40-51)32-31-45-27-25-44(26-28-45)29-30-46-33-35-48(41-52)36-34-46/h25-40,49-50H,5-24,42-43H2,1-4H3/b30-29+,32-31
1/C28H41N5O15S.Na/c1-12(2)21(28(42)43)33-26(41)17(9-15-5-7-16(8-6-15)48-49(44,45)46)31-25(40)18(29-13(3)35)10-20(37)32-27-22(30-14(4)36)24(39)23(38)19(11-34)47-27;/h5-8,12,17-19,21-24,27,34,38-39H,9-11H2,1-4H3,(H,29,35)(H,30,36)(H,31,40)(H,32,37)(H,33,41
1/C27H27N3O3S/c1-30-25(20-11-15-23(33-3)16-12-20)24(19-9-13-22(32-2)14-10-19)29-27(30)34-18-17-28-26(31)21-7-5-4-6-8-21/h4-16H,17-18H2,1-3H3,(H,28,31
1/C26H18O2/c1-17-16-23-21-9-5-3-7-19(21)11-13-25(23)28-26(17)15-14-22-20-8-4-2-6-18(20)10-12-24(22)27-26/h2-16H,1H
1/C22H28O6/c1-23-17-11-21(27-5)19(25-3)9-15(17)13-7-8-14(13)16-10-20(26-4)22(28-6)12-18(16)24-2/h9-14H,7-8H2,1-6H3/t13-,14
(3S,21S)-10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene (non-preferred name)
1/C21H26N2O4/c1-3-14-8-9-19(25)23(12-14)11-10-16-15-6-4-5-7-18(15)22-20(16)17(13-24)21(26)27-2/h4-7,12,17,22,24H,3,8-11,13H2,1-2H
10,14,15-trimethoxy-20-methyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),3,7(36),8,10,13(35),14,16,23(34),24,26,29,32-tridecaen-26-ol (non-preferred name)
10,15,26-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-14-ol (non-preferred name)
1/C30H52/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h10,17,22-23,25,28-29H,1,4,11-16,18-21H2,2-3,5-9H3/b26-17
1/C18H18O6/c1-22-14-8-13(20)15-16(21)11(9-24-18(15)17(14)23-2)7-10-3-5-12(19)6-4-10/h3-6,8,11,19-20H,7,9H2,1-2H
1/C19H15ClN2O2S/c1-11-19(23)24-17-18(25-11)22(2)15-9-8-13(20)10-14(15)16(21-17)12-6-4-3-5-7-12/h3-11H,1-2H
(3S,22S)-10,11,15,16,27-pentamethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1~14,18~.1~24,28~.0~3,8~.0~7,12~.0~22,36~]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaene-21-carbaldehyde (non-preferred name)
1/C17H22N6/c1-2-8-19-13-11-14(23-10-9-18-12-23)20-16-15(13)21-17(22-16)6-4-3-5-7-17/h9-12,19H,2-8H2,1H
(3S,22S)-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1~14,18~.1~24,28~.0~3,8~.0~7,12~.0~22,36~]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaen-15-ol (non-preferred name)
1/C23H22N2O2/c26-23(27-22-15-25-11-7-17(22)8-12-25)21-14-18(13-16-5-9-24-10-6-16)19-3-1-2-4-20(19)21/h1-6,9-10,13-14,17,22H,7-8,11-12,15H2/b18-13
1/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H
1/C19H20O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H
(1S,15S)-6,20,21,22,26-pentamethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.1~3,7~.1~9,13~.1~15,19~.0~23,34~.0~28,32~]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,27,32-dodecaene (non-preferred name)
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