化学式

CAS号

IUPAC Name

[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-5-[[(3aS,4R,6S,7R,7aS)-7-[(2S,3S,4R,5R,6S)-6-甲基-3,4,5-三(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-乙酰氨基-4-[(2S,3S,4R,5R,6S)-6-甲基-3,4,5-三(苄氧基)四氢吡喃 [(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-5-[[(3aS,4R,6S,7R,7aS)-7-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(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-acetamido-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,5-diacetyloxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-acetamido-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-acetyloxy-2-(phenylmethoxymethyl)-6-[[(2R,3S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl] acetate

InChI

InChI=1S/C179H198N2O46/c1-114-148(197-99-130-72-40-17-41-73-130)159(200-102-133-78-46-20-47-79-133)165(203-105-136-84-52-23-53-85-136)173(206-114)221-157-146(180-117(4)182)171(223-162-154(209-119(6)184)143(111-192-95-126-64-32-13-33-65-126)215-176(168(162)211-121(8)186)218-151-139(196-98-129-70-38-16-39-71-129)90-91-195-140(151)108-189-92-123-58-26-10-27-59-123)213-141(109-190-93-124-60-28-11-29-61-124)152(157)219-177-169(212-122(9)187)163(155(210-120(7)185)144(216-177)112-193-96-127-66-34-14-35-67-127)224-172-147(181-118(5)183)158(222-174-166(204-106-137-86-54-24-55-87-137)160(201-103-134-80-48-21-49-81-134)149(115(2)207-174)198-100-131-74-42-18-43-75-131)153(142(214-172)110-191-94-125-62-30-12-31-63-125)220-178-170(164-156(226-179(188)227-164)145(217-178)113-194-97-128-68-36-15-37-69-128)225-175-167(205-107-138-88-56-25-57-89-138)161(202-104-135-82-50-22-51-83-135)150(116(3)208-175)199-101-132-76-44-19-45-77-132/h10-91,114-116,139-178H,92-113H2,1-9H3,(H,180,182)(H,181,183)/t114-,115-,116-,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+,169+,170+,171-,172-,173-,174-,175-,176-,177-,178-/m0/s1

InChI Key

TXHBBJPYPLOSSR-AUNMMHKNSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C4C(C(O3)COCC5=CC=CC=C5)OC(=O)O4)OC6C(C(C(C(O6)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)COCC1=CC=CC=C1)OC1C(C(OC(C1OC(=O)C)OC1C(OC(C(C1OC1C(C(C(C(O1)C)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)NC(=O)C)OC1C(C(OC(C1OC(=O)C)OC1C(C=COC1COCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OC(=O)C)COCC1=CC=CC=C1)COCC1=CC=CC=C1)OC(=O)C)NC(=O)C)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

别名