Cas no 126347-74-8 (Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)-)
![Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)- structure](https://ossimg.kuujia.com/scimg/126500/126347-74-8x500.png)
126347-74-8 structure
Product Name:Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)-
CAS No:126347-74-8
MF:C43H52N4O7
MW:736.89559173584
CID:208273
PubChem ID:159575
Update Time:2025-04-19
Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)- Chemical and Physical Properties
Names and Identifiers
-
- Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)-
- Deacetyl Vinorelbine
- Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl este
- desacetylnavelbine
- 17-O-deacetylvinorelbine
- O-Deacetylnavelbine
- 4-O-Deacetylvinorelbine ditartrate
- O4-Deacetyl-3',4'-didehydro-4'-deoxy-C'-norvincaleukoblastine
- XKD4U87SZY
- C'-Norvincaleukoblastine, O4-deacetyl-3',4'-didehydro-4'-deoxy-
- UNII-XKD4U87SZY
- 126347-74-8
- methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
-
- Inchi： 1S/C43H52N4O7/c1-7-25-18-26-21-42(38(49)53-5,34-28(24-46(22-25)23-26)27-12-9-10-13-31(27)44-34)30-19-29-32(20-33(30)52-4)45(3)36-41(29)15-17-47-16-11-14-40(8-2,35(41)47)37(48)43(36,51)39(50)54-6/h9-14,18-20,26,35-37,44,48,51H,7-8,15-17,21-24H2,1-6H3/t26-,35-,36+,37+,40+,41?,42-,43-/m0/s1
- InChI Key： OBAOAFYUDIHEFP-ZTQPSMRSSA-N
- SMILES： O[C@]1(C(=O)OC)[C@@H]([C@@]2(C=CCN3CCC4(C5C=C([C@]6(C(=O)OC)C7=C(C8C=CC=CC=8N7)CN7CC(CC)=C[C@H](C7)C6)C(=CC=5N(C)[C@H]41)OC)[C@@H]32)CC)O
Computed Properties
- Exact Mass: 736.38400
- Monoisotopic Mass: 736.384
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 54
- Rotatable Bond Count: 8
- Complexity: 1570
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 128A^2
Experimental Properties
- Density: 1.38
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.695
- PSA: 127.80000
- LogP: 4.12360
Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)- Security Information
- Hazardous Material transportation number：UN 1544PSN1 6.1 / PGII
Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
126347-74-8 (Aspidospermidine-3-carboxylicacid,6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-,methyl ester, (2b,3b,4b,5a,12R,19a)-) Related Products
- 162652-95-1(methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-(12S,14S,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo12.3.1.0^{3,11}.0^{4,9}octadeca-3(11),4,6,8-tetraen-12-yl-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo10.6.1.0^{1,9}.0^{2,7}.0^{16,19}nonadeca-2,4,6,13-tetraene-10-carboxylate)
- 71486-22-1(Vinorelbine)
- 125317-39-7(Vinorelbine Ditartrate)
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- 38390-45-3(3',4'-Anhydrovinblastine)
- 57-22-7(Vincristine)
- 865-21-4(vinblastine)
- 23360-92-1(Vinleurosine)
- 143-67-9(Vinblastine sulfate)
- 54022-49-0(N-Formyl Leurosine)
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