1-[(2R)-2-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-(β-D-Glucopyranosyloxy)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-2-buten-1-yl β-D-allopyranoside

CAS Registry Number®

333333-13-4

CAS Name

1-[(2R)-2-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-(β-D-Glucopyranosyloxy)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-2-buten-1-yl β-D-allopyranoside

Molecular Formula

C42H68O13

Molecular Mass

780.98

Cite this Page

1-[(2R)-2-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-(β-D-Glucopyranosyloxy)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-2-buten-1-yl β-D-allopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=333333-13-4 (retrieved 2024-11-08) (CAS RN: 333333-13-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68O13/c1-21(2)16-23(52-36-34(49)32(47)30(45)25(18-43)53-36)17-22(3)24-10-12-40(7)27-11-13-42-28(41(27,20-51-42)15-14-39(24,40)6)8-9-29(38(42,4)5)55-37-35(50)33(48)31(46)26(19-44)54-37/h11,13,16,22-37,43-50H,8-10,12,14-15,17-20H2,1-7H3/t22-,23?,24-,25-,26-,27+,28+,29+,30-,31-,32-,33+,34-,35-,36-,37+,39-,40+,41+,42-/m1/s1

InChIKey

InChIKey=ABQUGMVYQWOOLF-ABQKILCYSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5([C@@](OC4)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC5)C=C3)[H])CC[C@]1(C)[C@@]([C@@H](CC(O[C@@H]7O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]7O)C=C(C)C)C)(CC2)[H])[H]

Canonical SMILES

OCC1OC(OC(C=C(C)C)CC(C)C2CCC3(C)C4C=CC56OCC4(CCC23C)C6CCC(OC7OC(CO)C(O)C(O)C7O)C5(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Allopyranoside, 1-[(2R)-2-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-(β-D-glucopyranosyloxy)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-2-buten-1-yl
  • β-D-Allopyranoside, 1-[(2R)-2-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-(β-D-glucopyranosyloxy)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-2-butenyl
  • 1-[(2R)-2-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-(β-D-Glucopyranosyloxy)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-17-yl]propyl]-3-methyl-2-buten-1-yl β-D-allopyranoside
  • Goyaglycoside f

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles