化学式

CAS号

IUPAC Name

[(1S,3R,4R,5S,6R,9R,10S,11R,12S,13S)-10-[[(3aS,4S,6R,7aR)-4,7a-二甲基-2-氧代-3a,4,6,7-四氢-[1,3]二氧代[4,5-c]吡喃-6-基]氧基]-6-[(2R)-1-[(2R,3R,4R,5R,6R)-5-乙酰氧基-3,4-二甲氧基-6-methyloxan-2-基]oxypropan-2-基]-12-[(2S,3R,6R)-3-乙酰氧基-6-甲基-4-methylideneoxan-2-基]氧基-1,3,5,9,11,13-六甲基 [(1S,3R,4R,5S,6R,9R,10S,11R,12S,13S)-10-[[(3aS,4S,6R,7aR)-4,7a-dimethyl-2-oxo-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-[(2R)-1-[(2R,3R,4R,5R,6R)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-12-[(2S,3R,6R)-3-acetyloxy-6-methyl-4-methylideneoxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-4-(3-methylbutanoyloxy)-2,8-dioxocyclotetradecyl] 4-(dimethylamino)pyridin-1-ium-1-carboxylate

InChI

InChI=1S/C63H97N2O21/c1-31(2)25-47(69)81-51-36(7)45(34(5)30-75-58-55(74-20)54(73-19)53(40(11)78-58)80-43(14)67)27-46(68)37(8)52(82-48-29-63(16)57(41(12)77-48)84-61(72)86-63)38(9)49(83-59-50(79-42(13)66)32(3)26-35(6)76-59)33(4)28-62(15,56(70)39(51)10)85-60(71)65-23-21-44(22-24-65)64(17)18/h21-24,31,33-41,45,48-55,57-59H,3,25-30H2,1-2,4-20H3/q+1/t33-,34-,35+,36-,37-,38+,39+,40+,41-,45+,48-,49-,50+,51+,52+,53+,54+,55+,57-,58+,59-,62-,63+/m0/s1

InChI Key

FIILYIOOMBLHAY-ARVVPRHHSA-N

Canonical SMILES

CC1CC(=C)C(C(O1)OC2C(CC(C(=O)C(C(C(C(CC(=O)C(C(C2C)OC3CC4(C(C(O3)C)OC(=O)O4)C)C)C(C)COC5C(C(C(C(O5)C)OC(=O)C)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)[N+]6=CC=C(C=C6)N(C)C)C)OC(=O)C

别名

• SCHEMBL16941203