Cas no 6060-06-6 (30-Norlupan-28-oicacid, 3-hydroxy-20-oxo-, (3b)-)
6060-06-6 structure
Product Name:30-Norlupan-28-oicacid, 3-hydroxy-20-oxo-, (3b)-
30-Norlupan-28-oicacid, 3-hydroxy-20-oxo-, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- 30-Norlupan-28-oicacid, 3-hydroxy-20-oxo-, (3b)-
- 3aH-cyclopenta[a]chrysene-3a-carboxylic acid, 1-acetyleicosahydro-9-hydroxy-5a,5b,8,8,11a-pentamethyl-, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-
- 3beta-Hydroxy-20-oxo-30-norlupan-28-oic acid
- CHEBI:65487
- 30-Norlupan-28-oic acid, 3-hydroxy-20-oxo-, (3beta)-
- Platanic acid
- 3-Hydroxy-20-oxonorlupan-28-oic acid, (3.beta.)
- Q27133930
- (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
- DTXSID30976042
- (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
- RVMPLOSJMIQORE-FUAAEJBOSA-N
- 6060-06-6
- BDBM50103962
- (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
- 1-Acetyl-9-hydroxy-5alpha,5beta,8,8,11alpha-pentamethylicosahydro-3rHcyclopenta[alpha]chrysene-3alpha-carboxylic Acid
- SCHEMBL15918102
- 1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
- (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid
- CHEMBL80460
-
- Inchi: 1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1
- InChI Key: RVMPLOSJMIQORE-FUAAEJBOSA-N
- SMILES: O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(C)=O)CC[C@]3(C(=O)O)CC[C@@]12C
Computed Properties
- Exact Mass: 458.33978
- Monoisotopic Mass: 458.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 864
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
30-Norlupan-28-oicacid, 3-hydroxy-20-oxo-, (3b)- Related Literature
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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