(3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde
CAS Registry Number®
1338588-94-5
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CAS Name
(3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehydeMolecular Formula
C42H68O14Molecular Mass
796.98Cite this Page
(3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1338588-94-5 (retrieved ) (CAS RN: 1338588-94-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H68O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,18-19,21-37,43,45-52H,9-17H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1
InChIKey
InChIKey=LILZAHFTZBUNDM-REZAIECBSA-N
SMILES
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)CC5)[H])[H])([C@H](O)C[C@H]2C(C)C)[H]
Canonical SMILES
O=CC12CCC3(C)C4C(=CCC3(C)C2C(O)CC1C(C)C)C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CC4O
Other Names for this Substance
- A′-Neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-, (3β,7β,19α,21β)-
- (3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde
