18-Norpregnan-20-one, 6-(β-D-glucopyranosyloxy)-3,12-dihydroxy-4,4,8,14-tetramethyl-, (3β,5α,6α,12β)-

CAS Registry Number®

335157-20-5
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CAS Name

18-Norpregnan-20-one, 6-(β-D-glucopyranosyloxy)-3,12-dihydroxy-4,4,8,14-tetramethyl-, (3β,5α,6α,12β)-

Molecular Formula

C30H50O9

Molecular Mass

554.71

Cite this Page

18-Norpregnan-20-one, 6-(β-D-glucopyranosyloxy)-3,12-dihydroxy-4,4,8,14-tetramethyl-, (3β,5α,6α,12β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=335157-20-5 (retrieved 2024-09-19) (CAS RN: 335157-20-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H50O9/c1-14(32)15-7-10-29(5)21(15)16(33)11-19-28(4)9-8-20(34)27(2,3)25(28)17(12-30(19,29)6)38-26-24(37)23(36)22(35)18(13-31)39-26/h15-26,31,33-37H,7-13H2,1-6H3/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,28-,29-,30-/m1/s1

InChIKey

InChIKey=MFXYPCMYAZAZDX-LYIMMZBGSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@]([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C1)(C(C)(C)[C@@H](O)CC3)[H])(C[C@@H](O)[C@]5([C@@]2(C)CC[C@@H]5C(C)=O)[H])[H]

Canonical SMILES

O=C(C)C1CCC2(C)C1C(O)CC3C4(C)CCC(O)C(C)(C)C4C(OC5OC(CO)C(O)C(O)C5O)CC32C

Other Names for this Substance

  • 18-Norpregnan-20-one, 6-(β-D-glucopyranosyloxy)-3,12-dihydroxy-4,4,8,14-tetramethyl-, (3β,5α,6α,12β)-
  • Notoginsenoside R10