Cas no 129273-43-4 (Spirosol-5-ene-3,23,27-triol,(3b,22a,23S,25R)- (9CI))
129273-43-4 structure
Product Name:Spirosol-5-ene-3,23,27-triol,(3b,22a,23S,25R)- (9CI)
CAS No:129273-43-4
MF:C27H43NO4
MW:445.634628534317
CID:200931
Update Time:2024-03-01
Spirosol-5-ene-3,23,27-triol,(3b,22a,23S,25R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Spirosol-5-ene-3,23,27-triol,(3b,22a,23S,25R)- (9CI)
- Solaverol B
- Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine],spirosol-5-ene-3,23,27-triol deriv.
- Spirosol-5-ene-3,23,27-triol, (3β,22α,23S,25R)- (9CI)
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- Inchi： 1S/C27H43NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h4,15-16,18-24,28-31H,5-14H2,1-3H3/t15-,16+,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
- InChI Key： DWHZMCMBSAKZFV-GIEGHYDASA-N
- SMILES： [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@]1([C@H](C)[C@@]4([C@@H](O)C[C@@H](CO)CN4)O[C@@]1([H])C3)[H])CC=2
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 622.3±55.0 °C(Predicted)
- PSA: 52.54
- pka: 14.89±0.10(Predicted)
Spirosol-5-ene-3,23,27-triol,(3b,22a,23S,25R)- (9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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