Cas no 1152595-57-7 (beta-D-glucopyranosyl ent-7beta-hydroxykaur-16-en-19-oate)
1152595-57-7 structure
Product Name:beta-D-glucopyranosyl ent-7beta-hydroxykaur-16-en-19-oate
CAS No:1152595-57-7
MF:C26H40O8
MW:480.591009140015
CID:2033372
PubChem ID:45269079
Update Time:2025-04-21
beta-D-glucopyranosyl ent-7beta-hydroxykaur-16-en-19-oate Chemical and Physical Properties
Names and Identifiers
-
- beta-D-glucopyranosyl ent-7beta-hydroxykaur-16-en-19-oate
- pharboside B
- 1152595-57-7
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4S,5R,9S,10S,13S)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
- ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1R,2R,4S,5R,9S,10S,13S)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxylate
- CHEMBL560381
-
- Inchi： 1S/C26H40O8/c1-13-10-26-11-14(13)5-6-16(26)24(2)7-4-8-25(3,17(24)9-18(26)28)23(32)34-22-21(31)20(30)19(29)15(12-27)33-22/h14-22,27-31H,1,4-12H2,2-3H3
- InChI Key： TUMAVTPFEIQOKS-UHFFFAOYSA-N
- SMILES： CC12C3C4(CC(=C)C(CC3)C4)C(O)CC1C(C(OC1C(O)C(O)C(O)C(CO)O1)=O)(C)CCC2
Computed Properties
- Exact Mass: 480.27231823Da
- Monoisotopic Mass: 480.27231823Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 4
- Complexity: 847
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 137?2
beta-D-glucopyranosyl ent-7beta-hydroxykaur-16-en-19-oate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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