Cas no 155740-23-1 (1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone)
![1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone structure](https://ossimg.kuujia.com/scimg/156000/155740-23-1x500.png)
155740-23-1 structure
Product Name:1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CAS No:155740-23-1
MF:C27H42O8
MW:494.617589473724
CID:199998
Update Time:2024-03-01
1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-en-20-one, 3-(b-D-glucopyranosyloxy)-14-hydroxy-,(3b,14b)-
- CarumbellosideII
- Carumbelloside II
- 1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr
- 1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
-
- Inchi： 1S/C27H42O8/c1-14(29)17-8-11-27(33)19-5-4-15-12-16(6-9-25(15,2)18(19)7-10-26(17,27)3)34-24-23(32)22(31)21(30)20(13-28)35-24/h4,16-24,28,30-33H,5-13H2,1-3H3/t16-,17+,18-,19+,20+,21+,22-,23+,24+,25-,26+,27-/m0/s1
- InChI Key： NDZKMEYKZILSFC-PZROBURKSA-N
- SMILES： O[C@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](CC3=CC[C@@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 35
- Rotatable Bond Count: 4
- Complexity: 875
- Topological Polar Surface Area: 137
1-[(3S,8R,9S,10R,13R,14S,17S)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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