Esculentoside B

CAS Registry Number®

60820-94-2

CAS Name

Esculentoside B

Molecular Formula

C36H56O11

Molecular Mass

664.82

Cite this Page

Esculentoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60820-94-2 (retrieved 2024-11-22) (CAS RN: 60820-94-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1

InChIKey

InChIKey=SFZVDNKTWPZIJG-ACNZYQHGSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@](C(OC)=O)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)C[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@]5(CO)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C(=O)OC)(C)CC2C3=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-(β-D-xylopyranosyloxy)-, 29-methyl ester, (2β,3β,4α,20β)-
  • Phytolaccoside B
  • Phytolaccasaponin G
  • Esculentoside B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration