Cas no 25339-90-6 (Cirramycin A1 (8CI,9CI))
Cirramycin A1 (8CI,9CI) structure
Product Name:Cirramycin A1 (8CI,9CI)
CAS No:25339-90-6
MF:C31H51NO10
MW:597.737350702286
CID:261749
PubChem ID:5358378
Update Time:2025-04-19
Cirramycin A1 (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cirramycin A1 (8CI,9CI)
- 2-[(14E)-9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
- AC1NSCFT
- Antibiotic B 58941B
- BRN 1633084
- Cirramycin A(1)
- Cirramycin A1
- LS-54334
- NSC246129
- CHEBI:219730
- 4, 9-[[3,6-dideoxy-3-(dimethylamino)-D-glucopyranosyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-
- 2-[(14E)-9-[4-(dimethylamino)-3, 5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2, 8, 12, 16-tetramethyl-5, 13-dioxo-4, 17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
- NSC-246129
- CHEMBL1976094
- 25339-90-6
- Antibiotic B 58941 B
- NSC 246129
-
- Inchi： 1S/C31H51NO10/c1-9-23-18(4)29-31(6,42-29)12-10-21(34)16(2)14-20(11-13-33)28(17(3)22(35)15-24(36)40-23)41-30-27(38)25(32(7)8)26(37)19(5)39-30/h10,12-13,16-20,22-23,25-30,35,37-38H,9,11,14-15H2,1-8H3/b12-10+
- InChI Key： PYLRKBRNWXMGSG-ZRDIBKRKSA-N
- SMILES： O1C2(C=CC(C(C)CC(CC=O)C(C(C)C(CC(=O)OC(CC)C(C)C12)O)OC1C(C(C(C(C)O1)O)N(C)C)O)=O)C |t:2|
Computed Properties
- Exact Mass: 597.35143
- Monoisotopic Mass: 597.351
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 42
- Rotatable Bond Count: 6
- Complexity: 973
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 14
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 155A^2
- XLogP3: 1.4
Experimental Properties
- Density: 1.21
- Boiling Point: 769.8°Cat760mmHg
- Flash Point: 419.4°C
- Refractive Index: 1.541
- PSA: 155.36
- LogP: 1.64120
Cirramycin A1 (8CI,9CI) Related Literature
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Mohamed S. Hifnawy,Mohamed M. Fouda,Ahmed M. Sayed,Rabab Mohammed,Hossam M. Hassan,Sameh F. AbouZid,Mostafa E. Rateb,Alexander Keller,Martina Adamek,Nadine Ziemert,Usama Ramadan Abdelmohsen RSC Adv. 2020 10 20939
-
2. Structure of rosamicin, a new macrolide from Micromonospora rosariaHans Rfimann,Robert S. Jaret J. Chem. Soc. Chem. Commun. 1972 1270a
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