化学式

CAS号

IUPAC Name

[(3R,6S)-6-[(2S,5S)-5-[(2S,5S)-4-[(2S,5R)-5-[[(3aS,6S)-7-[(2S,6S)-5-苯甲酰基氧基-6-甲基-3,4-双(苄氧基)四氢吡喃-2-基]氧基-2-氧代-4-(苄氧基甲基)-4,6,7,7a-四氢-3aH-[1,3]二氧代[4,5-c]吡喃-6-基]氧基]-3-(benzenesulfonamido)-4-[(2S,5R)-5-苯甲酰基氧基-6-甲基-3,4-双(苄氧基)四氢吡喃-2-基]氧基-6-(苄氧基甲基)四氢吡喃-2-基]氧基-3,5-二 [(3R,6S)-6-[(2S,5S)-5-[(2S,5S)-4-[(2S,5R)-5-[[(3aS,6S)-7-[(2S,6S)-5-benzoyloxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-oxo-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-(benzenesulfonamido)-4-[(2S,5R)-5-benzoyloxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-(benzenesulfonamido)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate;actinium

InChI

InChI=1S/C179H188N2O47S2.4Ac/c1-115-149(216-168(186)131-84-48-17-49-85-131)160(202-103-125-72-36-11-37-73-125)164(205-106-128-78-42-14-43-79-128)175(208-115)222-156-143(180-229(190,191)134-90-54-20-55-91-134)171(224-158-145(182)137(109-194-96-118-58-22-4-23-59-118)211-173(147(158)184)219-152-136(201-102-124-70-34-10-35-71-124)94-95-200-139(152)111-196-98-120-62-26-6-27-63-120)213-140(112-197-99-121-64-28-7-29-65-121)153(156)220-174-148(185)159(146(183)138(212-174)110-195-97-119-60-24-5-25-61-119)225-172-144(181-230(192,193)135-92-56-21-57-93-135)157(223-176-165(206-107-129-80-44-15-45-81-129)161(203-104-126-74-38-12-39-75-126)150(116(2)209-176)217-169(187)132-86-50-18-51-87-132)154(141(214-172)113-198-100-122-66-30-8-31-67-122)221-178-167(163-155(227-179(189)228-163)142(215-178)114-199-101-123-68-32-9-33-69-123)226-177-166(207-108-130-82-46-16-47-83-130)162(204-105-127-76-40-13-41-77-127)151(117(3)210-177)218-170(188)133-88-52-19-53-89-133;;;;/h4-95,115-117,136-167,171-178,180-185H,96-114H2,1-3H3;;;;/t115?,116?,117-,136?,137?,138?,139?,140?,141?,142?,143?,144?,145-,146-,147?,148?,149+,150+,151?,152-,153+,154-,155-,156?,157?,158?,159?,160?,161?,162?,163?,164?,165?,166?,167?,171-,172-,173-,174-,175-,176-,177-,178-;;;;/m0..../s1

InChI Key

OETRSYJIOAEVEB-CLKKKNGGSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COCC4=CC=CC=C4)O)OC5C(C(C(C(O5)COCC6=CC=CC=C6)OC7C(C8C(C(O7)COCC9=CC=CC=C9)OC(=O)O8)OC1C(C(C(C(O1)C)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC1C(C(C(C(O1)C)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1)O)COCC1=CC=CC=C1)OC1C(C(OC(C1O)OC1C(C=COC1COCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)O)NS(=O)(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)C1=CC=CC=C1.[Ac].[Ac].[Ac].[Ac]

别名