Cas no 110547-87-0 (Kauran-18-oic acid,13-hydroxy-, (4a,16a)- (9CI))
110547-87-0 structure
Product Name:Kauran-18-oic acid,13-hydroxy-, (4a,16a)- (9CI)
CAS No:110547-87-0
MF:C20H32O3
MW:320.466286659241
CID:168623
Update Time:2024-01-25
Kauran-18-oic acid,13-hydroxy-, (4a,16a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Kauran-18-oic acid,13-hydroxy-, (4a,16a)- (9CI)
- 1H-2,10a-Ethanophenanthrene,kauran-18-oic acid deriv.
- Dihydrosteviol B
- Kauran-18-oic acid, 13-hydroxy-, (4α,16α)-
-
- Inchi： 1S/C20H32O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18-,19-,20+/m1/s1
- InChI Key： FFDZEKYNUVRVOG-IVJAHPGJSA-N
- SMILES： C[C@H]1[C@]2(O)CC[C@]3([C@@]4(C)[C@@](CC[C@]3(C2)C1)([H])[C@](C)(C(O)=O)CCC4)[H]
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.15±0.1 g/cm3(Predicted)
- Boiling Point: 457.2±45.0 °C(Predicted)
- PSA: 52.54
- pka: 4.66±0.70(Predicted)
Kauran-18-oic acid,13-hydroxy-, (4a,16a)- (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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