Cas no 106452-33-9 (b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-O-b-D-glucopyranosyl- (9CI))
106452-33-9 structure
Product Name:b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-O-b-D-glucopyranosyl- (9CI)
CAS No:106452-33-9
MF:C42H68O13
MW:780.981534957886
CID:156781
Update Time:2024-01-25
b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-O-b-D-glucopyranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-O-b-D-glucopyranosyl- (9CI)
- 2H,5H-14a,4a-(Epoxymethano)picene,b-D-glucopyranoside deriv.
- Oleanane, b-D-glucopyranoside deriv.
- Prosaikogenin E 1
- β-D-Glucopyranoside, (3β,16β)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-O-β-D-glucopyranosyl- (9CI)
-
- Inchi： 1S/C42H68O13/c1-36(2)14-15-41-20-52-42(25(41)16-36)13-9-24-38(5)11-10-27(37(3,4)23(38)8-12-39(24,6)40(42,7)17-26(41)44)55-35-33(50)31(48)29(46)22(54-35)19-51-34-32(49)30(47)28(45)21(18-43)53-34/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23+,24-,25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,38+,39-,40+,41-,42+/m1/s1
- InChI Key： UJIPRTLPBKMLEK-NXZWHADISA-N
- SMILES： O([C@H]1[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@]4(OC[C@]5([C@@]4([H])C[C@@](C)(C)CC5)[C@H](O)C3)C=C1)C)(C)CC2)[H])(C)C)[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.36±0.1 g/cm3(Predicted)
- Boiling Point: 881.6±65.0 °C(Predicted)
- PSA: 52.54
- pka: 12.89±0.70(Predicted)
b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 6-O-b-D-glucopyranosyl- (9CI) Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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