Cas no 129369-30-8 (24,25,26-Trinoroleanane-3,12-dione,13-(hydroxymethyl)-5,9-dimethyl-, (4b,5b,8a,9b,10a,13a,14b)- (9CI))
129369-30-8 structure
Product Name:24,25,26-Trinoroleanane-3,12-dione,13-(hydroxymethyl)-5,9-dimethyl-, (4b,5b,8a,9b,10a,13a,14b)- (9CI)
CAS No:129369-30-8
MF:C30H48O3
MW:456.700329780579
CID:232177
Update Time:2024-03-01
24,25,26-Trinoroleanane-3,12-dione,13-(hydroxymethyl)-5,9-dimethyl-, (4b,5b,8a,9b,10a,13a,14b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 24,25,26-Trinoroleanane-3,12-dione,13-(hydroxymethyl)-5,9-dimethyl-, (4b,5b,8a,9b,10a,13a,14b)- (9CI)
- 3,13(2H,4H)-Picenedione,octadecahydro-12b-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-,(4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-
- D:A-Friedooleanane-3,12-dione,27-hydroxy-
- Pristimeronol
- 24,25,26-Trinoroleanane-3,12-dione, 13-(hydroxymethyl)-5,9-dimethyl-, (4β,5β,8α,9β,10α,13α,14β)- (9CI)
-
- Inchi： 1S/C30H48O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)17-24(33)30(18-31)23-16-25(2,3)12-13-26(23,4)14-15-29(22,30)7/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,26+,27+,28-,29+,30+/m0/s1
- InChI Key： DDNIUMXDORXCSF-FZBZDSEXSA-N
- SMILES： C1(=O)[C@@H]([C@]2(C)[C@@]([H])(CC1)[C@@]1(C)[C@@]([H])([C@@]3([C@@](CO)(C(=O)C1)[C@]1([C@@](CC[C@](C1)(C)C)(C)CC3)[H])C)CC2)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.042±0.06 g/cm3(Predicted)
- Melting Point: 260-262 °C
- Boiling Point: 542.5±35.0 °C(Predicted)
- PSA: 52.54
- pka: 13.99±0.10(Predicted)
24,25,26-Trinoroleanane-3,12-dione,13-(hydroxymethyl)-5,9-dimethyl-, (4b,5b,8a,9b,10a,13a,14b)- (9CI) Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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