Cas no 118172-79-5 (23-Nor-6-oxopristimerol)
23-Nor-6-oxopristimerol structure
Product Name:23-Nor-6-oxopristimerol
CAS No:118172-79-5
MF:C29H38O5
MW:466.60902929306
CID:2052600
PubChem ID:131676057
Update Time:2025-04-21
23-Nor-6-oxopristimerol Chemical and Physical Properties
Names and Identifiers
-
- 23-Nor-6-oxopristimerol
- 6-Oxo-23-norpristimerol
- CS-0637183
- 118172-79-5
- HY-N10851
- methyl (2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
- DA-60074
-
- Inchi： 1S/C29H38O5/c1-25-7-8-26(2,24(33)34-6)16-23(25)29(5)12-10-27(3)18-14-21(32)20(31)13-17(18)19(30)15-22(27)28(29,4)11-9-25/h13-15,23,31-32H,7-12,16H2,1-6H3/t23-,25-,26-,27+,28-,29+/m1/s1
- InChI Key： GCBFITRLUGEXIX-UHKCKZGUSA-N
- SMILES： O(C)C([C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(C5C=C(C(=CC=5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)O)O)=O)=O
Computed Properties
- Exact Mass: 466.27192431g/mol
- Monoisotopic Mass: 466.27192431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 941
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- Color/Form: Powder
23-Nor-6-oxopristimerol Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
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
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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