(9β,10α)-2-(β-D-Glucopyranosyloxy)-4,4,9,14-tetramethyl-19-norpregna-1,5,16-triene-3,11,20-trione

CAS Registry Number®

1345690-60-9

CAS Name

(9β,10α)-2-(β-D-Glucopyranosyloxy)-4,4,9,14-tetramethyl-19-norpregna-1,5,16-triene-3,11,20-trione

Molecular Formula

C30H40O9

Molecular Mass

544.63

Cite this Page

(9β,10α)-2-(β-D-Glucopyranosyloxy)-4,4,9,14-tetramethyl-19-norpregna-1,5,16-triene-3,11,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1345690-60-9 (retrieved 2025-01-07) (CAS RN: 1345690-60-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H40O9/c1-14(32)15-9-10-28(4)20-8-7-16-17(30(20,6)21(33)12-29(15,28)5)11-18(25(37)27(16,2)3)38-26-24(36)23(35)22(34)19(13-31)39-26/h7,9,11,17,19-20,22-24,26,31,34-36H,8,10,12-13H2,1-6H3/t17-,19-,20+,22-,23+,24-,26-,28+,29-,30+/m1/s1

InChIKey

InChIKey=IWCKWAIXWURPAN-SQXHYVSRSA-N

SMILES

C[C@]12[C@]([C@@]3(C)[C@](C)(CC1=O)C(C(C)=O)=CC3)(CC=C4[C@]2(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[H])[H]

Canonical SMILES

O=C(C1=CCC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C)C

Other Names for this Substance

  • 19-Norpregna-1,5,16-triene-3,11,20-trione, 2-(β-D-glucopyranosyloxy)-4,4,9,14-tetramethyl-, (9β,10α)-
  • (9β,10α)-2-(β-D-Glucopyranosyloxy)-4,4,9,14-tetramethyl-19-norpregna-1,5,16-triene-3,11,20-trione

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