Cas no 75303-44-5 ((3beta,15alpha,21beta,22alpha)-15,21,22,28-tetrahydroxyolean-12-en-3-yl 4-O-alpha-L-arabinopyranosyl-6-deoxy-alpha-L-mannopyranoside)
75303-44-5 structure
Product Name:(3beta,15alpha,21beta,22alpha)-15,21,22,28-tetrahydroxyolean-12-en-3-yl 4-O-alpha-L-arabinopyranosyl-6-deoxy-alpha-L-mannopyranoside
CAS No:75303-44-5
MF:C41H68O14
MW:784.970234870911
CID:1777064
PubChem ID:441940
Update Time:2025-04-21
(3beta,15alpha,21beta,22alpha)-15,21,22,28-tetrahydroxyolean-12-en-3-yl 4-O-alpha-L-arabinopyranosyl-6-deoxy-alpha-L-mannopyranoside Chemical and Physical Properties
Names and Identifiers
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- (3beta,15alpha,21beta,22alpha)-15,21,22,28-tetrahydroxyolean-12-en-3-yl 4-O-alpha-L-arabinopyranosyl-6-deoxy-alpha-L-mannopyranoside
- DTXCID10282774
- (2S,3R,4S,5S)-2-((2S,3R,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl)oxytetrahydropyran-3,4,5-triol
- 75303-44-5
- (2S,3R,4S,5S)-2-((2S,3R,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-4,5-dihydroxy-2-methyloxan-3-yl)oxyoxane-3,4,5-triol
- DTXSID60331680
- Pittoside A
- C08969
- CHEBI:8254
- Q27108017
- (2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
- (2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
-
- Inchi： 1S/C41H68O14/c1-18-29(55-34-27(46)25(44)21(43)16-52-34)26(45)28(47)35(53-18)54-24-12-13-38(6)22(37(24,4)5)11-14-39(7)23(38)10-9-19-20-15-36(2,3)30(48)32(50)41(20,17-42)33(51)31(49)40(19,39)8/h9,18,20-35,42-51H,10-17H2,1-8H3
- InChI Key： LZHFOLKKTHKKLN-UHFFFAOYSA-N
- SMILES： CC1C(OC2C(O)C(O)C(O)CO2)C(O)C(O)C(OC2C(C)(C)C3CCC4(C5(C(C6C(C(C5O)O)(CO)C(O)C(O)C(C)(C)C6)=CCC4C3(C)CC2)C)C)O1
Computed Properties
- Exact Mass: 768.46599222g/mol
- Monoisotopic Mass: 768.46599222g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 55
- Rotatable Bond Count: 5
- Complexity: 1440
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 20
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.146
- Topological Polar Surface Area: 219?2
(3beta,15alpha,21beta,22alpha)-15,21,22,28-tetrahydroxyolean-12-en-3-yl 4-O-alpha-L-arabinopyranosyl-6-deoxy-alpha-L-mannopyranoside Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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