Cas no 23407-52-5 ((10α)-25-(Acetyloxy)-3β,16α,20-trihydroxy-9β-(hydroxymethyl)-19-norlanost-5-ene-11,22-dione)
23407-52-5 structure
Product Name:(10α)-25-(Acetyloxy)-3β,16α,20-trihydroxy-9β-(hydroxymethyl)-19-norlanost-5-ene-11,22-dione
CAS No:23407-52-5
MF:C32H50O8
MW:562.734611034393
CID:280035
Update Time:2023-11-19
(10α)-25-(Acetyloxy)-3β,16α,20-trihydroxy-9β-(hydroxymethyl)-19-norlanost-5-ene-11,22-dione Chemical and Physical Properties
Names and Identifiers
-
- 19-Norlanost-5-ene-11,22-dione,25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3b,9b,10a,16a)- (9CI)
- (10α)-25-(Acetyloxy)-3β,16α,20-trihydroxy-9β-(hydroxymethyl)-19-norlanost-5-ene-11,22-dione
- 19-Nor-9b,10a-lanost-5-ene-11,22-dione, 3b,16a,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate,(+)- (8CI)
- Cucurbitacin C, dihydro- (6CI)
- Dihydrocucurbitacin C
- CID 101603273
- 19-Norlanost-5-ene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3β,9β,10α,16α)-
-
- Inchi： 1S/C32H50O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,20-23,26,33,35-36,39H,10-17H2,1-8H3/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
- InChI Key： NPJVLABQJBRCDB-WHEMRKSBSA-N
- SMILES： O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@H](CC[C@H]4[C@]3(CO)C(C[C@]2(C)[C@H]1[C@@](C(CCC(C)(C)OC(C)=O)=O)(C)O)=O)O
Computed Properties
- Exact Mass: 562.351
- Monoisotopic Mass: 562.351
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 40
- Rotatable Bond Count: 8
- Complexity: 1110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 141
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Melting Point: 226 °C(Solv: ethanol (64-17-5); hexane (110-54-3))
- Boiling Point: 694.0±55.0 °C(Predicted)
- pka: 12.81±0.29(Predicted)
(10α)-25-(Acetyloxy)-3β,16α,20-trihydroxy-9β-(hydroxymethyl)-19-norlanost-5-ene-11,22-dione Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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