(αS,2S,5S,6S)-Tetrahydro-α,5-dimethyl-6-[(1S,2S,3S,4S,5S,6R,9E,11R,12R,13E,15R)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadien-1-yl]-2H-pyran-2-acetic acid

CAS Registry Number®

91920-88-6
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CAS Name

(αS,2S,5S,6S)-Tetrahydro-α,5-dimethyl-6-[(1S,2S,3S,4S,5S,6R,9E,11R,12R,13E,15R)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadien-1-yl]-2H-pyran-2-acetic acid

Molecular Formula

C33H60O7

Molecular Mass

568.83

Cite this Page

(αS,2S,5S,6S)-Tetrahydro-α,5-dimethyl-6-[(1S,2S,3S,4S,5S,6R,9E,11R,12R,13E,15R)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadien-1-yl]-2H-pyran-2-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95673-10-2 (retrieved 2024-04-19) (CAS RN: 91920-88-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    72-77 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H60O7/c1-10-13-19(2)18-22(5)29(35)20(3)14-11-12-15-27(34)23(6)30(36)25(8)31(37)26(9)32-21(4)16-17-28(40-32)24(7)33(38)39/h11,14,18-21,23-32,34-37H,10,12-13,15-17H2,1-9H3,(H,38,39)/b14-11+,22-18+/t19-,20-,21+,23+,24+,25+,26+,27-,28+,29-,30+,31+,32+/m1/s1

InChIKey

InChIKey=XMCIULDTDFJACK-FXLACHKASA-N

SMILES

[C@@H]([C@H]([C@H]([C@H]([C@H]([C@@H](CC/C=C/[C@H]([C@H](/C(=C/[C@@H](CCC)C)/C)O)C)O)C)O)C)O)(C)[C@]1(O[C@]([C@@H](C(O)=O)C)(CC[C@@H]1C)[H])[H]

Canonical SMILES

O=C(O)C(C)C1OC(C(C)CC1)C(C)C(O)C(C)C(O)C(C)C(O)CCC=CC(C)C(O)C(=CC(C)CCC)C

Other Names for this Substance

  • 2H-Pyran-2-acetic acid, tetrahydro-α,5-dimethyl-6-[(1S,2S,3S,4S,5S,6R,9E,11R,12R,13E,15R)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadien-1-yl]-, (αS,2S,5S,6S)-
  • 2H-Pyran-2-acetic acid, tetrahydro-α,5-dimethyl-6-(2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadienyl)-, [2S-[2α(R*),5α,6β(1R*,2R*,3R*,4R*,5R*,6S*,9E,11S*,12S*,13E,15S*)]]-
  • 2H-Pyran-2-acetic acid, tetrahydro-α,5-dimethyl-6-[(1S,2S,3S,4S,5S,6R,9E,11R,12R,13E,15R)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadienyl]-, (αS,2S,5S,6S)-
  • (αS,2S,5S,6S)-Tetrahydro-α,5-dimethyl-6-[(1S,2S,3S,4S,5S,6R,9E,11R,12R,13E,15R)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadien-1-yl]-2H-pyran-2-acetic acid
  • Griseochelin

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Deleted or Replaced CAS Registry Numbers

95673-10-2

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