Olean-12-ene-23,28-dioic acid, 3-[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxy-, (2β,3β,4α)-
CAS Registry Number®
49792-25-8
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CAS Name
Olean-12-ene-23,28-dioic acid, 3-[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxy-, (2β,3β,4α)-Molecular Formula
C42H66O16Molecular Mass
826.96Cite this Page
Olean-12-ene-23,28-dioic acid, 3-[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxy-, (2β,3β,4α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=49792-25-8 (retrieved ) (CAS RN: 49792-25-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(51)52)25(38)9-10-40(24,39)5)58-34-30(50)28(48)31(23(18-44)56-34)57-33-29(49)27(47)26(46)22(17-43)55-33/h7,20-34,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)
InChIKey
InChIKey=AFLNGLSTOJPKJJ-UHFFFAOYSA-N
SMILES
CC12C(C3(C)C(CC1)C(C(O)=O)(C)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3)CC=C6C2(C)CCC7(C(O)=O)C6CC(C)(C)CC7
Canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C(=O)O)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Olean-12-ene-23,28-dioic acid, 3-[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxy-, (2β,3β,4α)-