Cas no 102490-01-7 (Sarpagan-10,17-diol,(16S)- (9CI))
102490-01-7 structure
Product Name:Sarpagan-10,17-diol,(16S)- (9CI)
CAS No:102490-01-7
MF:C19H22N2O2
MW:310.390184879303
CID:209860
PubChem ID:6438931
Update Time:2025-04-19
Sarpagan-10,17-diol,(16S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Sarpagan-10,17-diol,(16S)- (9CI)
- 16-Episarpagine
- (16xi,19E)-sarpagan-10,17-diol
- Sarpagan-10,17-diol, (16S)-
- (1S,12S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
- 16-epi-sarpagine
- 102490-01-7
-
- Inchi： 1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12?,15?,17-,18-/m0/s1
- InChI Key： VTVQHYQGTTVKDE-LUMHSOHMSA-N
- SMILES： OCC1C2/C(=C\C)/CN3[C@H](C4=C(C5C=C(C=CC=5N4)O)C[C@H]31)C2
Computed Properties
- Exact Mass: 309.16043
- Monoisotopic Mass: 310.168128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 522
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.5
- XLogP3: 1.7
Experimental Properties
- Density: 1.39
- Boiling Point: 524.6°Cat760mmHg
- Flash Point: 271.1°C
- Refractive Index: 1.735
- PSA: 56.59
- LogP: 2.66750
Sarpagan-10,17-diol,(16S)- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
102490-01-7 (Sarpagan-10,17-diol,(16S)- (9CI)) Related Products
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