Cas no 104777-93-7 (19-Norlanosta-5,23-diene-3,11,22-trione,25-(acetyloxy)-16,20-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI))
104777-93-7 structure
Product Name:19-Norlanosta-5,23-diene-3,11,22-trione,25-(acetyloxy)-16,20-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)
CAS No:104777-93-7
MF:C32H46O7
MW:542.703450679779
CID:210104
Update Time:2024-03-01
19-Norlanosta-5,23-diene-3,11,22-trione,25-(acetyloxy)-16,20-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 19-Norlanosta-5,23-diene-3,11,22-trione,25-(acetyloxy)-16,20-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI)
- Amarinin
- 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-16,20-dihydroxy-9-methyl-, (9β,10α,16α,23E)-
-
- Inchi： 1S/C32H46O7/c1-18(33)39-27(2,3)15-14-24(36)32(9,38)26-21(34)16-29(6)22-12-10-19-20(11-13-23(35)28(19,4)5)31(22,8)25(37)17-30(26,29)7/h10,14-15,20-22,26,34,38H,11-13,16-17H2,1-9H3/b15-14+/t20-,21-,22+,26+,29+,30-,31+,32+/m1/s1
- InChI Key： PIWXAMLXLSRQJJ-ZQPBVEMMSA-N
- SMILES： C1(=O)[C@@](C2[C@@]([H])(CC1)[C@@]1(C)[C@]([H])([C@]3([C@@](CC1=O)(C)[C@@H]([C@](O)(C)C(=O)/C=C/C(OC(C)=O)(C)C)[C@H](O)C3)C)CC=2)(C)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 667.8±55.0 °C(Predicted)
- PSA: 52.54
- pka: 12.60±0.29(Predicted)
19-Norlanosta-5,23-diene-3,11,22-trione,25-(acetyloxy)-16,20-dihydroxy-9-methyl-, (9b,10a,16a,23E)- (9CI) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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