化学式

CAS号

IUPAC Name

[(3R)-6-[(2S,5S)-5-[(2S,5S)-4-[(2S,5S)-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-6-甲基-2-氧代-4-(苄氧基甲基)-3a,4,7,7a-四氢-[1,3]二氧代[4,5-c]吡喃-6-基]氧基]-3-(benzenesulfonamido)-4-[(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-3,5-二羟基-6 [(3R)-6-[(2S,5S)-5-[(2S,5S)-4-[(2S,5S)-5-[[(3aS,6S)-7-[(2S,6S)-5-benzoyloxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-6-methyl-2-oxo-4-(phenylmethoxymethyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-3-(benzenesulfonamido)-4-[(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/C180H190N2O47S2.4Ac/c1-116-150(216-169(187)132-85-49-18-50-86-132)161(203-104-126-73-37-12-38-74-126)165(206-107-129-79-43-15-44-80-129)176(209-116)221-157-144(181-230(191,192)135-91-55-21-56-92-135)172(223-159-146(183)138(110-195-97-119-59-23-5-24-60-119)212-174(148(159)185)219-153-137(202-103-125-71-35-11-36-72-125)95-96-201-140(153)112-197-99-121-63-27-7-28-64-121)214-141(113-198-100-122-65-29-8-30-66-122)154(157)220-175-149(186)160(147(184)139(213-175)111-196-98-120-61-25-6-26-62-120)224-173-145(182-231(193,194)136-93-57-22-58-94-136)158(222-177-166(207-108-130-81-45-16-46-82-130)162(204-105-127-75-39-13-40-76-127)151(117(2)210-177)217-170(188)133-87-51-19-52-88-133)156(142(215-173)114-199-101-123-67-31-9-32-68-123)229-180(4)168(164-155(225-179(190)226-164)143(228-180)115-200-102-124-69-33-10-34-70-124)227-178-167(208-109-131-83-47-17-48-84-131)163(205-106-128-77-41-14-42-78-128)152(118(3)211-178)218-171(189)134-89-53-20-54-90-134;;;;/h5-96,116-118,137-168,172-178,181-186H,97-115H2,1-4H3;;;;/t116?,117?,118-,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?,168?,172-,173-,174-,175-,176?,177?,178-,180-;;;;/m0..../s1

InChI Key

IBDHEZHTLMYLID-MVTOZBSLSA-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)OC7(C(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)C)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