Cas no 73435-91-3 ((6α,10β,11α,19E)-24-Hydroxyophiobola-2,7,19-trien-21-oic acid)
73435-91-3 structure
Product Name:(6α,10β,11α,19E)-24-Hydroxyophiobola-2,7,19-trien-21-oic acid
CAS No:73435-91-3
MF:C25H38O3
MW:386.56742811203
CID:579865
Update Time:2024-03-01
(6α,10β,11α,19E)-24-Hydroxyophiobola-2,7,19-trien-21-oic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptenoic acid,6-[(3R,3aR,6aS,10aS)-1,2,3,3a,4,6a,7,8,10,10a-decahydro-9-(hydroxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-3-yl]-2-methyl-,(2E,6S)- (9CI)
- (6α,10β,11α,19E)-24-Hydroxyophiobola-2,7,19-trien-21-oic acid
- 2-Heptenoic acid,6-[1,2,3,3a,4,6a,7,8,10,10a-decahydro-9-(hydroxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-3-yl]-2-methyl-,[3R-[3a(2E,6S*),3aa,6ab,10ab]]-
- Ceroplastolic acid
- Ophiobola-2,7,19-trien-21-oicacid, 24-hydroxy-, (6a,10b,11a,19E)-
- CID 101603285
-
- Inchi： 1S/C25H38O3/c1-16(6-5-7-18(3)24(27)28)21-12-13-25(4)14-22-19(15-26)9-10-20(22)17(2)8-11-23(21)25/h7-8,16,20-21,23,26H,5-6,9-15H2,1-4H3,(H,27,28)/b17-8-,18-7+/t16-,20-,21+,23+,25-/m0/s1
- InChI Key： NKBIEWGALZPYAU-MVWRWGNJSA-N
- SMILES： OCC1CC[C@H]2C(C)=CC[C@@H]3[C@@H]([C@@H](C)CC/C=C(/C(=O)O)\C)CC[C@@]3(C)CC2=1 |c:7|
Computed Properties
- Exact Mass: 386.282
- Monoisotopic Mass: 386.282
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 699
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5
(6α,10β,11α,19E)-24-Hydroxyophiobola-2,7,19-trien-21-oic acid Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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