Cas no 172703-87-6 (Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)-)
172703-87-6 structure
Product Name:Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)-
CAS No:172703-87-6
MF:C30H56O10
MW:576.759651184082
CID:180200
PubChem ID:9916202
Update Time:2025-04-19
Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)-
- Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R
- (-)-Exophilin A
- Decanoicacid, 5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)hexyl ester, [3R-[1[R*(R*)],3R*,5R*(3R*,5R*)]]-
- Exophilin A
- SCHEMBL9253516
- 172703-87-6
- (1R)-1-[(2R)-3-Carboxy-2-hydroxypropyl]hexyl (3R,5R)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxydecanoate
- CHEBI:201906
- DTXSID301107313
- (3R,5R)-5-[(3R,5R)-5-[(3R,5R)-3,5-dihydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid
-
- Inchi: 1S/C30H56O10/c1-4-7-10-13-22(31)16-23(32)20-29(37)40-27(15-12-9-6-3)18-25(34)21-30(38)39-26(14-11-8-5-2)17-24(33)19-28(35)36/h22-27,31-34H,4-21H2,1-3H3,(H,35,36)
- InChI Key: RZQNQMRSGMXXMH-UHFFFAOYSA-N
- SMILES: CCCCCC(CC(CC(OC(CC(CC(OC(CC(CC(=O)O)O)CCCCC)=O)O)CCCCC)=O)O)O
Computed Properties
- Exact Mass: 576.38748
- Monoisotopic Mass: 576.38734798g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 40
- Rotatable Bond Count: 28
- Complexity: 671
- 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: 5.1
- Topological Polar Surface Area: 171?2
Experimental Properties
- PSA: 170.82
Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- Related Literature
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Fabia Mittendorf,Moritz Quambusch,Stefan F. Kirsch Org. Biomol. Chem. 2023 21 4574
-
D. John Faulkner Nat. Prod. Rep. 1998 15 113
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