(3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

94805-85-3

CAS Name

(3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C39H62O13

Molecular Mass

738.90

Cite this Page

(3β,25R)-Spirost-5-en-3-yl 2-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=94805-85-3 (retrieved 2024-12-23) (CAS RN: 94805-85-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1

InChIKey

InChIKey=SOSXYUIKBSZONB-MKCQZNCWSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])(O[C@@]8([C@H]3C)CC[C@@H](C)CO8)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CC4=CCC5C(CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C4(C)CC3)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,25R)-Spirost-5-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Melongoside F

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