Numata 134-VII-Ac-1
Numata 134-VII-Ac-1

Absolute stereostructures of novel cytotoxic metabolites, gymnastatins A-E, from a Gymnascella species separated from a Halichondria sponge
Amagata,T., Doi,M., Ohta,T., Minoura,K. and Numata,A. (1998)
J. Chem. Soc., Perkin Trans. 1, 3585-3599.

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ORTEP-III (Burnett, 1996) drawing

Introduction: Based on the fact that some of the bioactive materials isolated from marine animals have been produced by bacteria, we have focused our attention on new antitumor materials from microorganisms inhabiting the marine environment. As part of this program, we have found a number of antituimor and/or cytotoxic compounds from various fungi and an actinomycete originally isolated from various marine organisms, and elucidated their structure. Our continuing search for cytotoxic compounds has led to the isolation of five metablites designated gymnastatins A-E 1-5 from a strain of Gymnascella dankaliensis (Castellani) Currah OUPS-N134 which was separated from the spoge Halichonadria japonica. We report herein the isolation and absilute stereostructure determination of 1-5, of which the relative seterostructures for 1-3 except for in a preliminary form, together with their cytotoxic activies.

X-Ray Data Summary
formulaC27 H37 Cl N O7
space groupC2
Cell Crystal
a 19.175(7) Ang. description plate/td>
b 9.322(3) Ang. colour Colorless
c 17.751(4) Ang. size (mm) 0.8x0.4x0.05
alpha 90. deg. Dx (g/ml) 1.124
beta 103.00(2) deg. F(000) 1116
gamma 90. deg. mu(CuKa) 1.422
volume 3091.8(15) Ang^3
Z 4
Refinement Diffrn measurement
Flack 0.00(4) device type Rigaku AFC5R/RU-200
parameters 331 decay -7.2 %
restraints 1 index limit -22-h-0,0-k-10,-20-L-20
R_factor_all 0.0927 theta (deg.) 4.73 - 63.29
R_factor_gt 0.0882 total reflections 2670
wR_factor_ref 0.2365 reflections(obs) 2557 .gt. 2sigma(I)
wR_factor_gt 0.2259 Structure
shift/su_max lt.0.001 solution SHELXS-97
shift/su_mean 0.000 refinement SHELXL-97

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Date: Feb.1998