Cas no 41714-30-1 ( )
structure
Product Name:
CAS No:41714-30-1
MF:C18H29NO7
MW:371.425366163254
CID:927300
PubChem ID:317194
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Croalbidine
- NSC211514
- 4,5,9-Trihydroxy-4,5-dimethyl-3-(propan-2-yl)decahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
- NSC-211514
- DTXSID00311926
- NSC247528
- AKOS040734924
- 41714-30-1
- NSC-247528
- 5,6,11-Trihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
-
-
- Inchi: 1S/C18H29NO7/c1-9(2)13-15(21)26-12-5-6-19-7-11(20)10(14(12)19)8-25-16(22)18(4,24)17(13,3)23/h9-14,20,23-24H,5-8H2,1-4H3
- InChI Key: CYVCLVKKOTUWRC-UHFFFAOYSA-N
- SMILES: CC(C1C(O)(C)C(O)(C)C(=O)OCC2C3N(CC2O)CCC3OC1=O)C
Computed Properties
- Exact Mass: 371.19440226g/mol
- Monoisotopic Mass: 371.19440226g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 596
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 117?2
Experimental Properties
- Color/Form: Powder
Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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