(2α,3β,7β,19α,21β)-2-(Acetyloxy)-17-[(acetyloxy)methyl]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
CAS Registry Number®
CAS Name
(2α,3β,7β,19α,21β)-2-(Acetyloxy)-17-[(acetyloxy)methyl]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranosideMolecular Formula
C46H74O17Molecular Mass
899.07Cite this Page
(2α,3β,7β,19α,21β)-2-(Acetyloxy)-17-[(acetyloxy)methyl]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1338588-92-3 (retrieved ) (CAS RN: 1338588-92-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C46H74O17/c1-20(2)24-14-26(51)38-45(9)11-10-23-31(44(45,8)12-13-46(24,38)19-59-21(3)48)25(50)15-30-42(5,6)39(27(60-22(4)49)16-43(23,30)7)63-41-37(57)35(55)33(53)29(62-41)18-58-40-36(56)34(54)32(52)28(17-47)61-40/h10,20,24-41,47,50-57H,11-19H2,1-9H3/t24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,43+,44-,45+,46+/m0/s1
InChIKey
InChIKey=AOBLQNHRIORKQD-OWMKJQNQSA-N
SMILES
C(OC(C)=O)[C@]12[C@@]([C@]3(C)[C@@](C)(CC1)[C@]4(C(=CC3)[C@]5(C)[C@@](C[C@@H]4O)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@H](OC(C)=O)C5)[H])[H])([C@H](O)C[C@H]2C(C)C)[H]
Canonical SMILES
O=C(OCC12CCC3(C)C4C(=CCC3(C)C2C(O)CC1C(C)C)C5(C)CC(OC(=O)C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CC4O)C
Other Names for this Substance
- β-D-Glucopyranoside, (2α,3β,7β,19α,21β)-2-(acetyloxy)-17-[(acetyloxy)methyl]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl 6-O-β-D-glucopyranosyl-
- (2α,3β,7β,19α,21β)-2-(Acetyloxy)-17-[(acetyloxy)methyl]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside