(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-3,4-Dihydro-6,8-dihydroxy-5-methyl-1-oxo-1H-2-benzopyran-3-yl]-2-hydroxybutyl]tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]-2-hydroxy-3-methoxy-5-methyl-5-hexenamide

CAS Registry Number®

714954-37-7
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CAS Name

(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-3,4-Dihydro-6,8-dihydroxy-5-methyl-1-oxo-1H-2-benzopyran-3-yl]-2-hydroxybutyl]tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]-2-hydroxy-3-methoxy-5-methyl-5-hexenamide

Molecular Formula

C31H47NO11

Molecular Mass

609.71

Cite this Page

(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-3,4-Dihydro-6,8-dihydroxy-5-methyl-1-oxo-1H-2-benzopyran-3-yl]-2-hydroxybutyl]tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]-2-hydroxy-3-methoxy-5-methyl-5-hexenamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=714954-37-7 (retrieved 2024-05-02) (CAS RN: 714954-37-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21-,22+,23+,24-,25-,27+,29+/m1/s1

InChIKey

InChIKey=BNNIEBYABSNREN-CYRUSRGFSA-N

SMILES

CC1=C2C(C(=O)O[C@@]([C@@H]([C@H](C[C@H]3O[C@]([C@@H](NC([C@H]([C@H](CC(C)=C)OC)O)=O)OC)(C[C@@H](O)C3(C)C)[H])O)C)(C2)[H])=C(O)C=C1O

Canonical SMILES

O=C1OC(CC=2C1=C(O)C=C(O)C2C)C(C)C(O)CC3OC(CC(O)C3(C)C)C(OC)NC(=O)C(O)C(OC)CC(=C)C

Other Names for this Substance

  • 5-Hexenamide, N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-3,4-dihydro-6,8-dihydroxy-5-methyl-1-oxo-1H-2-benzopyran-3-yl]-2-hydroxybutyl]tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]-2-hydroxy-3-methoxy-5-methyl-, (2S,3S)-
  • (2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-[(3R)-3,4-Dihydro-6,8-dihydroxy-5-methyl-1-oxo-1H-2-benzopyran-3-yl]-2-hydroxybutyl]tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]-2-hydroxy-3-methoxy-5-methyl-5-hexenamide
  • Psymberin
  • Irciniastatin A
  • (+)-Psymberin

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Deleted or Replaced CAS Registry Numbers

674293-65-3

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