Cas no 33282-87-0 (Pregn-5-ene-20-carboxylicacid, 3,16-dihydroxy-, g-lactone, (3b,16b,20S)- (9CI))
33282-87-0 structure
Product Name:Pregn-5-ene-20-carboxylicacid, 3,16-dihydroxy-, g-lactone, (3b,16b,20S)- (9CI)
CAS No:33282-87-0
MF:C22H32O3
MW:344.487687110901
CID:322174
PubChem ID:182121
Update Time:2025-04-19
Pregn-5-ene-20-carboxylicacid, 3,16-dihydroxy-, g-lactone, (3b,16b,20S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-ene-20-carboxylicacid, 3,16-dihydroxy-, g-lactone, (3b,16b,20S)- (9CI)
- Diosgeninlactone
- (3beta,16beta,20S)-3,16-Dihydroxy-pregn-5-ene-20-carboxylic acid gamma-lactone
- DTXSID30954921
- Vespertilin
- (1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one
- 33282-87-0
- 2-Hydroxy-4a,6a,7-trimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydro-8H-naphtho[2',1':4,5]indeno[2,1-b]furan-8-one
-
- Inchi： 1S/C22H32O3/c1-12-19-18(25-20(12)24)11-17-15-5-4-13-10-14(23)6-8-21(13,2)16(15)7-9-22(17,19)3/h4,12,14-19,23H,5-11H2,1-3H3/t12-,14-,15+,16-,17-,18-,19-,21-,22-/m0/s1
- InChI Key： NROZBIHZZUIGDJ-VEVNUCLGSA-N
- SMILES： O1C([C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O)=O
Computed Properties
- Exact Mass: 344.23526
- Monoisotopic Mass: 344.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 639
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (3.3E-3 g/L) (25 oC),
- PSA: 46.53
Pregn-5-ene-20-carboxylicacid, 3,16-dihydroxy-, g-lactone, (3b,16b,20S)- (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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