Cas no 235777-17-0 (3,16,29-Trihydroxycycloart-24-en-26,22-olide; (3β,16α,22S)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranoside])
![3,16,29-Trihydroxycycloart-24-en-26,22-olide; (3β,16α,22S)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranoside] structure](https://ossimg.kuujia.com/scimg/236000/235777-17-0x500.png)
235777-17-0 structure
Product Name:3,16,29-Trihydroxycycloart-24-en-26,22-olide; (3β,16α,22S)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranoside]
CAS No:235777-17-0
MF:C47H74O19
MW:943.079077243805
CID:6738914
Update Time:2024-03-03
3,16,29-Trihydroxycycloart-24-en-26,22-olide; (3β,16α,22S)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranoside] Chemical and Physical Properties
Names and Identifiers
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- 3,16,29-Trihydroxycycloart-24-en-26,22-olide; (3β,16α,22S)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranoside]
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- Inchi： 1S/C47H74O19/c1-20-6-7-24(62-39(20)59)21(2)30-22(50)14-45(5)28-9-8-27-43(3,19-49)29(10-11-46(27)18-47(28,46)13-12-44(30,45)4)65-42-38(31(52)23(51)16-60-42)66-41-37(58)35(56)33(54)26(64-41)17-61-40-36(57)34(55)32(53)25(15-48)63-40/h6,21-38,40-42,48-58H,7-19H2,1-5H3
- InChI Key： YUCORSXPQUBWMI-UHFFFAOYSA-N
- SMILES： CC(C1OC(=O)C(C)=CC1)C1C2(C(C3C4(C5(CCC(C(C5CC3)(CO)C)OC3C(OC5C(O)C(O)C(O)C(COC6C(O)C(O)C(O)C(CO)O6)O5)C(O)C(O)CO3)C4)CC2)(C)CC1O)C
Computed Properties
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 66
- XLogP3: 2.256
3,16,29-Trihydroxycycloart-24-en-26,22-olide; (3β,16α,22S)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranoside] Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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