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-acetate

CAS Registry Number®

1338588-88-7

CAS Name

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-acetate

Molecular Formula

C42H66O13

Molecular Mass

778.97

Cite this Page

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-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1338588-88-7 (retrieved 2024-12-22) (CAS RN: 1338588-88-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H66O13/c1-20(2)25-15-27(47)35-41(10)12-11-24-31(40(41,9)13-14-42(25,35)19-52-22(4)44)26(46)16-30-38(6,7)36(28(53-23(5)45)17-39(24,30)8)55-37-34(50)33(49)32(48)29(54-37)18-51-21(3)43/h11,20,25-37,46-50H,12-19H2,1-10H3/t25-,26-,27+,28+,29+,30-,31-,32+,33-,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1

InChIKey

InChIKey=MIOBGTKJTCKTTC-XADNGMGVSA-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](COC(C)=O)[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(OCC1OC(OC2C(OC(=O)C)CC3(C4=CCC5(C)C6C(O)CC(C(C)C)C6(COC(=O)C)CCC5(C)C4C(O)CC3C2(C)C)C)C(O)C(O)C1O)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-acetate

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.