Cas no 2601-07-2 (Pregn-16-en-20-one,3-(acetyloxy)-, (3b,5b)-)
2601-07-2 structure
Product Name:Pregn-16-en-20-one,3-(acetyloxy)-, (3b,5b)-
CAS No:2601-07-2
MF:C23H34O3
MW:358.514267444611
CID:260675
PubChem ID:101224
Update Time:2025-04-19
Pregn-16-en-20-one,3-(acetyloxy)-, (3b,5b)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-16-en-20-one,3-(acetyloxy)-, (3b,5b)-
- 3beta-Hydroxy-5beta-pregn-16-en-20-one 3-acetate; (3beta,5beta)-20-oxopregn-16-en-3-yl acetate
- SCHEMBL7990832
- 16-Pregnene-3.beta.-ol-20-one, acetate
- Pregn-16-en-20-one, 3-(acetyloxy)-, (3.beta.,5.beta.)-
- NSC 401313
- 3b-acetoxy-5b-pregn-16-ene-20-one
- NS00046200
- 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate
- 16-Pregnene-3.beta.-ol-20-one
- 3-Acetyloxypregn-16-en-20-one
- EINECS 220-004-8
- 16-Pregnen-3.beta.-ol-20-one acetate
- [(3S,5R,8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- 3beta-acetoxy-5beta-pregn-16-en-20-one
- 5.beta.-Pregn-16-en-20-one, 3.beta.-hydroxy-, acetate
- 3beta-Hydroxy-5beta-pregn-16-en-20-one 3-acetate
- 2601-07-2
- 20-Oxopregn-16-en-3-yl acetate #
-
- Inchi： 1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21H,5-6,8-13H2,1-4H3/t16-,17+,18+,20+,21+,22+,23-/m1/s1
- InChI Key： YFMSIVMSEGIVCP-VLBJDTNOSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)[C@@H](C1)CC[C@H]1[C@@H]3CC=C(C(C)=O)[C@@]3(C)CC[C@H]21
Computed Properties
- Exact Mass: 358.25092
- Monoisotopic Mass: 358.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 650
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pregn-16-en-20-one,3-(acetyloxy)-, (3b,5b)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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