12626-18-5 (富米特霉素A,Fumitremorgin A)

CAS号:
12626-18-5
中文名称:
富米特霉素A
英文名称:
Fumitremorgin A
分子式:
C32H41N3O7
分子量:
579.683849096298

富米特霉素A(12626-18-5)名称与标识符

名称

英文别名:
5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-,(5R,10S,10aR,14aS,15bS)-;5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10a-hyd;5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-p;Fumitremorgin A;(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione;FUMITREMORGENA;ZR1C7949XT;12626-18-5;CHEBI:72766;NCGC00180170-01;(9R,14S,17S,23R,24S)-23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione;Fumitremorgin A, 5S-(5alpha,10beta,10abeta,14aalpha,15balpha)-isomer;ACon1_001759;Q27140132;5H-12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5R-(5-alpha,10-alpha,10a-alpha,14a-alpha,15b-alpha))-;DTXSID30925479;BRD-K19808008-001-01-0;(5R,10S,10aR,14aS,15bS)-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(H,13H)-dione;UNII-ZR1C7949XT;C20564;FUMITREMORGEN A;BRD8008;BRD-8008;NCGC00180170-02_C32H41N3O7_5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methyl-1-propen-1-yl)-, (5R,10S,10aR,14aS,15bS)-;SCHEMBL1887086;NCGC00180170-02;5H-12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5R,10S,10aR,14aS,15bS)-;

标识符

InChIKey:
ACGHJVZDNQZJOV-BMOJZYMJSA-N
Inchi:
1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1
SMILES:
O[C@]12C(N3CCC[C@H]3C(N1[C@H]1CC(C)(C)OO[C@H](/C=C(\C)/C)N3C4C=C(C=CC=4C(=C31)[C@@H]2OC/C=C(\C)/C)OC)=O)=O

富米特霉素A(12626-18-5)物化性质

实验特性

  • 折射率 : 1.636
  • 沸点 : 762.1°Cat760mmHg
  • 闪点 : 414.7°C
  • 密度 : 1.34

计算特性

  • 精确分子量 : 579.294
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 579.294
  • 重原子数量 : 42
  • 复杂度 : 1150
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.8
  • 拓扑分子极性表面积 : 103

富米特霉素A(12626-18-5)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
四川维克奇生物科技有限公司 13348961525杨洋 2851167780
询单
青岛普瑞邦生物工程有限公司 15706395750
400-6885349
市场部 2672338038 询单

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