benzyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-3-phenylmethoxycarbonyloxyspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate | 1037210-11-9

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

benzyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-3-phenylmethoxycarbonyloxyspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate

英文别名

——

benzyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-3-phenylmethoxycarbonyloxyspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate化学式

CAS

1037210-11-9

化学式

C₄₄H₅₅NO₆

mdl

——

分子量

693.924

InChiKey

JYUYJPWUONVNHE-VHPPBSONSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.3
重原子数：

51
可旋转键数：

8
环数：

8.0
sp3杂化的碳原子比例：

0.59
拓扑面积：

74.3
氢给体数：

0
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	benzyl (1'R,2R,2'S,3R,3aS,6S,6'R,7aR,8'R,10'S,11'R,14'S)-3,6,6',11'-tetramethyl-14'-phenylmethoxycarbonyloxyspiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,5'-pentacyclo[8.8.0.02,8.06,8.011,16]octadec-16-ene]-4-carboxylate	1055981-06-0	C₄₄H₅₅NO₆	693.924
——	BisCBzcyclopamine	1037210-08-4	C₄₃H₅₃NO₆	679.897
——	benzyl (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-(2,2-dimethylpropanoyloxy)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1037210-03-9	C₄₀H₅₅NO₅	629.88
环巴胺	cyclopamine	4449-51-8	C₂₇H₄₁NO₂	411.628

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	benzyl (3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-3-oxospiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055981-16-2	C₃₆H₄₇NO₄	557.773
——	benzyl (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-3-oxospiro[2,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1037210-47-1	C₃₆H₄₉NO₄	559.789
——	benzyl (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bR)-4-(hydroxymethyl)-3',6',11,12b-tetramethyl-3-oxospiro[2,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055988-94-7	C₃₇H₅₁NO₅	589.816
——	benzyl (1'S,2S,2'R,3R,3aS,6S,7aR,8'S,11'R,12'S)-2',3,6,17'-tetramethyl-5'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,15'-6-azatetracyclo[9.8.0.02,8.012,18]nonadeca-3,17-diene]-4-carboxylate	1055981-25-3	C₃₆H₄₈N₂O₄	572.788
——	benzyl (2Z,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-2-(hydroxymethylidene)-3',6',11,12b-tetramethyl-3-oxospiro[1,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055981-18-4	C₃₇H₄₉NO₅	587.8
——	benzyl (2S,3R,3aS,4'aR,6S,6'aR,6'bS,7aR,12'aS,12'bS)-2'-formyl-3,6,11',12'b-tetramethyl-3'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,9'-4a,5,6,6a,6b,7,8,10,12,12a-decahydro-4H-naphtho[2,1-a]azulene]-4-carboxylate	1055981-19-5	C₃₇H₄₇NO₅	585.784
——	benzyl (3'R,3'aS,4Z,4aS,6'S,6aR,6bS,7'aR,9S,12aS,12bR)-4-(hydroxymethylidene)-3',6',11,12b-tetramethyl-3-oxospiro[1,2,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055988-96-9	C₃₇H₄₉NO₅	587.8
——	benzyl (1'S,2S,2'R,3R,3aS,6S,7aR,8'S,11'R,12'S)-2',3,6,6',17'-pentamethyl-5'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,15'-6-azatetracyclo[9.8.0.02,8.012,18]nonadeca-3,17-diene]-4-carboxylate	1055981-27-5	C₃₇H₅₀N₂O₄	586.815
——	benzyl (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-2-bromo-3',6',11,12b-tetramethyl-3-oxospiro[2,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055989-28-0	C₃₆H₄₈BrNO₄	638.685
——	benzyl (1'S,2S,2'R,3R,3aS,6S,7aR,11'S,12'S)-2',3,6,6',17'-pentamethyl-5'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,15'-6-azatetracyclo[9.8.0.02,8.012,18]nonadeca-7,17-diene]-4-carboxylate	1055981-41-3	C₃₇H₅₀N₂O₄	586.815
——	benzyl (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-3-triethylsilyloxyspiro[1,2,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055988-91-4	C₄₂H₆₃NO₄Si	674.052
——	4-O-benzyl 2-O'-methyl (2S,3R,3aS,4'aR,6S,6'aR,6'bS,7aR,12'aS,12'bS)-3,6,11',12'b-tetramethyl-3'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,9'-4a,5,6,6a,6b,7,8,10,12,12a-decahydro-4H-naphtho[2,1-a]azulene]-2',4-dicarboxylate	1055989-08-6	C₃₈H₄₉NO₆	615.81
——	benzyl (2Z,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethyl-3-oxo-2-(2,2,2-trifluoro-1-hydroxyethylidene)spiro[1,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-carboxylate	1055988-82-3	C₃₈H₄₈F₃NO₅	655.798