Momordicoside I

CAS Registry Number®

81371-55-3

CAS Name

Momordicoside I

Molecular Formula

C36H58O8

Molecular Mass

618.84

Cite this Page

Momordicoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81371-55-3 (retrieved 2024-11-08) (CAS RN: 81371-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+/t21-,22-,23-,24+,25+,26+,27-,28+,29-,30+,33-,34+,35+,36-/m1/s1

InChIKey

InChIKey=KJEYALWPYVKAPR-RFIGSTHDSA-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](C/C=C/C(C)(C)O)C)(CC2)[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3C4(OCC53CCC6(C)C(CCC6(C)C5C=C4)C(C)CC=CC(O)(C)C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexenyl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-3-yl
  • β-D-Glucopyranoside, 1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-17-(5-hydroxy-1,5-dimethyl-3-hexenyl)-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-3-yl, [3S-[3α,5α,8α,9α,10β,13α,14β,17α(1S*,3E)]]-
  • 5,9-(Epoxymethano)-2H-cyclopenta[a]phenanthrene, β-D-glucopyranoside deriv.
  • (3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-Dodecahydro-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexenyl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-3-yl β-D-glucopyranoside
  • Momordicoside I

CAS INSIGHTSTM
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