Cas no 69477-80-1 (16-Methyl-28-nor-D:A-friedoolean-16,21-dien-3β-ol)
69477-80-1 structure
Product Name:16-Methyl-28-nor-D:A-friedoolean-16,21-dien-3β-ol
CAS No:69477-80-1
MF:C30H48O
MW:424.701529502869
CID:511192
Update Time:2024-03-01
16-Methyl-28-nor-D:A-friedoolean-16,21-dien-3β-ol Chemical and Physical Properties
Names and Identifiers
-
- 24,25,26,28-Tetranoroleana-16,21-dien-3-ol,5,9,13,16-tetramethyl-, (3b,4b,5b,8a,9b,10a,13a,14b)- (9CI)
- 16-Methyl-28-nor-D:A-friedoolean-16,21-dien-3β-ol
- D:A-Friedo-28-noroleana-16,21-dien-3-ol,16-methyl-, (3b)-
- Pachysandienol A
- CID 101643002
- 24,25,26,28-Tetranoroleana-16,21-dien-3-ol, 5,9,13,16-tetramethyl-, (3β,4β,5β,8α,9β,10α,13α,14β)- (9CI)
-
- Inchi： 1S/C30H48O/c1-19-17-30(8)25-12-14-27(5)20(2)23(31)9-10-24(27)28(25,6)15-16-29(30,7)22-18-26(3,4)13-11-21(19)22/h11,13,20,22-25,31H,9-10,12,14-18H2,1-8H3/t20-,22+,23-,24+,25-,27+,28-,29-,30+/m0/s1
- InChI Key： LASASEMNAMQDFY-RQXSNDJBSA-N
- SMILES： O[C@H]1CC[C@@H]2[C@@](C)([C@H]1C)CC[C@@H]1[C@@]3(C)CC(C)=C4C=CC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 833
- Topological Polar Surface Area: 20.2
- XLogP3: 11.099
Experimental Properties
- Density: 1.02±0.1 g/cm3(Predicted)
- Boiling Point: 502.2±49.0 °C(Predicted)
- pka: 15.17±0.70(Predicted)
16-Methyl-28-nor-D:A-friedoolean-16,21-dien-3β-ol Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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